(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT
D-Calcium Pantothenate
CAS: 137-08-6
Molecular Formula: C9H17NO5.1/2Ca
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Names and Identifiers
| Name | D-Calcium Pantothenate |
| Synonyms | (theta)- Vitamin B5 Calcium panthothenate Calcium D-Pantothenate d-pantothenate calcium D-Calcium Pantothenate PANTOTHENIC ACID CALCIUM SALT Pantothenic Acid Calcium Salt calcium d-pantothenate,medicinal (+)-PANTOTHENIC ACID CALCIUM SALT D-(+)-pantothenic acid calcium salt D-(+)-Pantothenic Acid Calcium Salt n-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alaninecalcium N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-alaninecalciumsalt calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate} calcium 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) (R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT |
| CAS | 137-08-6 |
| EINECS | 205-278-9 |
| InChI | InChI=1/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m11./s1 |
| InChIKey | FAPWYRCQGJNNSJ-UBKPKTQASA-L |
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Physico-chemical Properties
| Molecular Formula | C9H17NO5.1/2Ca |
| Molar Mass | 476.53 |
| Melting Point | 190 °C |
| Boling Point | 551.5°C at 760 mmHg |
| Specific Rotation(α) | 26.5 º (c=5, in water) |
| Flash Point | 145 °C |
| Water Solubility | Soluble in water. |
| Solubility | Soluble in water, glycerol and alkali solution, slightly soluble in ethanol and acetone, insoluble in benzene |
| Appearance | White lens powder |
| Color | White or almost white |
| Merck | 14,7015 |
| BRN | 3769272 |
| PH | 6.8-7.2 (25℃, 50mg/mL in H2O) |
| Storage Condition | 2-8°C |
| Stability | Stable, but may be moisture or air sensitive. Incompatible with strong acids, strong bases. |
| Sensitive | Hygroscopic |
| Refractive Index | 27 ° (C=5, H2O) |
| MDL | MFCD00002766 |
| Physical and Chemical Properties | Melting point 190°C specific rotation 26.5 ° (c = 5, in water) |
| Use | Feed additives, food additives, in accordance with the Pharmacopoeia USP28/BP2003 |
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R48 - Danger of serious damage to health by prolonged exposure |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S22 - Do not breathe dust. |
| WGK Germany | 1 |
| RTECS | RU4375000 |
| FLUKA BRAND F CODES | 3-10 |
| TSCA | Yes |
| HS Code | 29362400 |
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Reference
| Reference Show more | 1. Dong Shujia, Qin Weishuai, Liu Canzhen, et al. Effects of Low Nitrogen on Ester Synthesis in Saccharomyces cerevisiae Fermentation [J]. Chinese Brewing 2018 037(001):149-154. 2. Wang Yuee, Li Dongxia, Li Zhi, et al. Detection of B Vitamins Based on Four-Peak Supermaterial THz Sensor [J]. Spectroscopy and Spectral Analysis, 2020, v.40(06):131-136. 3. Chen yinbin, Wang Yufang, Hou Zhifang, et al. Effects of Rg1 combined with B vitamins on NO release and Rg1 intake in acute myocardial ischemia mice [J]. specialty research 2016(1):5-8. 4. Guo Gangjun, Hu Xiaojing, Xu Rong, et al. Effects of drying methods on nutrition, functional components and amino acid composition of spicy wood leaves [J]. Food science, 2018, 39(011):39-45. 5. Wen pengcheng, Cui na, Liang qi, et al. study on vitamin changes in yak colostrum and its transitional milk [J]. food industry science and technology, 2014, 35(16):121-121. 6. Zheng, Peihe, et al. "Influence of B- complex vitamins on the pharmacokinetics of ginsenosides Rg1, Rb1, and Ro after oral administration." Journal of medicinal food 20.11 (2017): 1127-1132.https://doi.org/10.1089/jmf.2017.3922 7. Chen, Yin Bin, et al. "Effect of B- complex vitamins on the antifatigue activity and bioavailability of ginsenoside Re after oral administration." Journal of ginseng research 41.2 (2017): 209-214.https:// doi.org/10.1016/j.jgr. 2016.03.006 8. [IF=6.06] Yin Bin Chen et al."Effect of B- complex vitamins on the antifatigue activity and bioavailability of ginsenoside Re after oral administration."J Ginseng Res. 2017 Apr;41:209 9. [IF=2.786] Peihe Zheng et al."Influence of B- Complex Vitamins on the Pharmacokinetics of Ginsenosides Rg1, Rb1, and Ro After Oral Administration."J Med Food. 2017 Nov;20(11):1127-1132 10. [IF=7.514] Hongcai Li et al."Study on the nutritional characteristics and antioxidant activity of dealcoholized sequentially fermented apple juice with Saccharomyces cerevisiae and Lactobacillus plantarum fermentation."Food Chem. 2021 Nov;363:130351 11. [IF=2.419] Shanshan Gao et al."Development and validation of a sensitive and reliable targeted metabolomics method for the quantification of cardiovascular disease-related biomarkers in plasma by using UPLC-MS/MS."Rapid Communications In Mass Spectrometry. 2022 Mar |
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Nature
Open Data Verified Data
White needle-like crystals or powders. Slightly Sweet. Melting point 195~196 °c (decomposition). 1g of this product is soluble in 2. 8mL water, aqueous solution ph7.2 ~ 8.0, soluble in glycerol, ethanol-soluble and acetone. Hygroscopic, stable to air and light.
Last Update：2024-01-02 23:10:35
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Preparation Method
Open Data Verified Data
The β-amino-calcium propionate formed by the reaction of acrylonitrile, ammonia, sodium hydroxide, calcium oxide and the α-moiety β-, DL-calcium pantothenate was prepared by β-dimethyl-y-butyrolactone, which was then resolved.
Last Update：2022-01-01 09:27:31
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Standard
Authoritative Data Verified Data
This product is the calcium salt of (R)-N-(3, 3-dimethyl-2, 4-dihydroxy-oxobutyl)-3-alanine. Based on the dry product, the calcium (Ca) should be 8.20% to 8.60%, nitrogen (N) should be 5.70% to 6.00%.
Last Update：2024-01-02 23:10:35
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Trait
Authoritative Data Verified Data
- This product is a white powder; Odorless; There is a hygroscopicity; The aqueous solution is neutral or weak alkaline.
- This product is soluble in water, very slightly soluble in ethanol, and almost insoluble in chloroform or ether.
specific rotation
take this product, precision weighing, add water to dissolve and quantitatively dilute to make a solution containing about 50mg per lml, and determine according to law (General 0621), the specific rotation was 25.0 ° to 28.5 °.
Last Update：2022-01-01 11:59:21
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Introduction
This product is a precursor of coenzyme A synthesis and is used to prepare tissue culture medium. Biochemical research. Nutrients. Calcium D-Panthotenate, also known as vitamin B5 Calcium, is a water-soluble vitamin and an essential nutrient for many animals. Since the free acid is unstable and hygroscopic, it takes the form of calcium salt. Can reduce patulin in apple juice. & & Biological activity: & & In vitro study: In human lymphocytes (Jurkat cells), Pantothenic acid increases free glutathione and has little effect on protein-bound glutathione. Pantothenic acid also increases cell respiration, with pyruvate as an exogenous substrate. Pantothenic acid belongs to the vitamin B family and is a component of coenzyme A. Pantothenic acid participates in various cellular damages of reactive oxygen species by increasing the amount of coenzyme A. Pantothenic acid increased the content of glutathione by more than 50% and increased the GSH / GSSG ratio by 50%. Pantothenic acid and N-acetylcysteine attenuated UV-induced reductions in glutathione content, reduced lipid peroxidation, and partially protected cells from apoptosis caused by UV irradiation. & & In vivo study: In the adrenal cells of control rats, pantothenic acid-treated rats showed relatively high basal levels of corticosterone and progesterone. Pantothenic acid supplementation stimulates the ability of male rats to secrete corticosterone and progesterone in adrenal cells. Pantothenic acid supplementation induces adrenalhyperresponsiveness to ACTH stimulation and PRL to further stimulate adrenal sensitivity ACTH. In CD-1 mice, valproic acid (VPA) before pantothenic acid significantly prevents VPA-induced neural tube defects (NTDs). Pantothenic acid prevents valproic acid-induced changes in NF-κB,PIM-1 and c-Myb.
Last Update：2022-10-16 17:13:39
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Use
Open Data Verified Data
preparation of medium, biochemical studies.
Last Update：2022-01-01 09:27:31
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Differential diagnosis
Authoritative Data Verified Data
- take about 50mg of this product, add 5ml of sodium hydroxide solution, shake, and add 2 drops of copper sulfate solution, which shows blue purple.
- take about 50mg of this product, add 5ml of sodium hydroxide solution, shake, boil for 1 min, let it cool, add 1 drop of phenolphthalein indicator solution, and add hydrochloric acid solution (9-100) dropwise. Add 0.5 more after the solution fades, and add 2 drops of ferric chloride solution, that is clear yellow.
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 208).
- This product is the identification of calcium salt reaction (General 0301).
Last Update：2022-01-01 11:59:21
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Exam
Authoritative Data Verified Data
pH
take 1. 0g of this product, add water 20ml to dissolve, according to the law to determine (General 0631),pH value should be 6.8~8.0.
clarity and color of solution
The solution under pH should be clear and colorless. Multi-alanine take this product, precision weighing, dissolving with water and quantitatively diluting to make a solution containing about 40mg per lml, as a test solution; Another tooth alanine reference, precision weighing, water was added to dissolve and quantitatively diluted to prepare a solution containing about 0.4mg per 1 ml as a control solution. According to the thin layer chromatography (General 0502) test, absorb 5ul of each of the above two solutions, respectively point on the same silica gel G thin layer plate, with ethanol-water (65:35) as the developing solvent, it was developed, dried, sprayed with ninhydrin test solution, dried at 110 ° C. For 10 minutes, and examined immediately. If the test solution shows the impurity spots corresponding to the main spots of the reference solution, the color of the test solution should not be deeper than that of the main spots of the reference solution (1.0%).
loss on drying
take this product, dry to constant weight at 105°C, weight loss shall not exceed 5.0% (General rule 0831).
Heavy metals
take this product l. Add appropriate amount of water to dissolve, add 1.0ml of hydrochloric acid solution (9-100), dilute to 25ml with water, and check according to law (General rule 0821, Law 1), containing no more than 20 parts per million of heavy metals.
Last Update：2022-01-01 11:59:22
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Content determination
Authoritative Data Verified Data
calcium
take about 0.5g of this product, precision weighing, add 100ml of water to dissolve, add 15ml of sodium hydroxide test solution and about 0.lg of calmenine indicator, and use ethylenediamine tetraacetic acid disodium titration solution (0.O5mol/L) titration to the solution from purple to pure blue. Each 1 ml of ethylenediamine tetraacetic acid disodium titration solution (0.05mol/L) is equivalent to 2.004mg of Korean (Ca).
nitrogen
take this product about 0.5g, precision weighing, according to the nitrogen determination method (General 0704 first method) determination. Each 1 ml of sulfuric acid titration solution (0.05mol/L) corresponds to 1.401mg of nitrogen (N).
Last Update：2022-01-01 11:59:23
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Category
Authoritative Data Verified Data
vitamins.
Last Update：2022-01-01 11:59:23
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Storage
Authoritative Data Verified Data
sealed and stored in a dry place.
Last Update：2022-01-01 11:59:23
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Calcium pantothenate tablets
Authoritative Data Verified Data
This product should contain calcium pantothenate label amount of 93.0% ~ 107.0%.
trait
This product is white tablet.
identification
- take an appropriate amount of fine powder of this product (about 50mg equivalent to calcium pantothenate), add 5ml of sodium hydroxide solution, shake, filter, add 1 drop of copper sulfate solution to the filtrate, which shows dark blue.
- take an appropriate amount of fine powder of this product (about 50mg of calcium pantothenate), add 5ml of sodium hydroxide solution, boil for 1 minute, let it cool, add 5ml of lmol/L hydrochloric acid solution, and add 2 drops of ferric chloride solution, that is yellow.
- take an appropriate amount of fine powder of this product, add water to shake, filter, and the filtrate shows the identification reaction of calcium salt (General rule 0301).
examination
- Content uniformity take 1 tablet of this product, put it in a 10ml(5mg specification) or 20ml(10mg specification) measuring flask, add an appropriate amount of mobile phase, ultrasonic to dissolve calcium pantothenate, and let it cool, dilute to scale with mobile phase, shake well, centrifuge, take the supernatant and determine the content according to the method under the content determination item, which should comply with the regulations (General rule 0941).
- the dissolution of this product, according to the dissolution and release determination method (General rule 0931 second method), water 900ml as the dissolution medium, the speed of 50 rpm, according to the law, after 45 minutes, the solution was filtered, and the continued filtrate was taken as the test solution; Another calcium pantothenate reference substance was taken, and the precise weighing was performed, water was added to dissolve and quantitatively diluted to prepare a solution containing about 5.6ug(5mg specification) or 11 lug (10 mg specification) per 1 ml as a control solution. According to the method under the content determination item, the dissolution amount of each tablet was calculated by the peak area according to the external standard method. The limit is 75% of the labeled amount and shall be in accordance with the provisions.
- others shall be in accordance with the relevant provisions under the item of tablets (General rule 0101).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system suitability test using eighteen alkyl silane bonded silica gel as filler; Acetonitrile-water-phosphoric acid (50:950:1) as mobile phase; The detection wavelength was 210nm. The degree of separation between the calcium pantothenate peak and the adjacent impurity peak shall meet the requirements.
- determination Method: Take 20 tablets of this product, accurately weigh, grind, accurately weigh an appropriate amount (about 25mg equivalent to calcium pantothenate), put it in a 50ml measuring flask, add an appropriate amount of mobile phase, and ultrasonic to dissolve calcium pantothenate, cool, dilute to the scale with mobile phase, shake well, centrifuge, and accurately take 10ul of the liquid to be injected into the human liquid chromatograph, record the chromatogram; Take another calcium pantothenate reference substance, and accurately weigh it, the mobile phase was added to dissolve and quantitatively dilute to make a solution containing 0.5mg per 1 ml, which was determined by the same method. According to the external standard method to calculate the peak area, that is.
category
Same as calcium pantothenate.
specification
(l)5mg (2)10mg
storage
light-shielded, sealed, and stored in a dry place.
Last Update：2022-01-01 11:59:24
(R)-(+)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-BETA-ALANINE HEMICALCIUM SALT - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | calcium pantothenate is a kind of B vitamins and one of the essential nutrients for normal growth of organisms. Calcium pantothenate exists in three forms due to its chiral carbon atom: D L-body (mixed spin), D-body (right-handed body) and L-body (left-handed body). Only D-calcium pantothenate has biological activity. Its appearance is white or yellowish needle-like crystal or powder, its melting point is 195~196 ℃ (decomposition), and it is soluble in water, methanol, glycerin, slightly soluble in ethanol and acetone, it is hygroscopic and slightly sweet, but turns slightly bitter. As far as chemical stability is concerned, it is the most stable in aqueous solution with pH value between 5 and 7, which is more stable in air and sunlight, but less stable in acid and alkali. |
| deficiency | lack of calcium pantothenate in human body has the following symptoms:(1) growth arrest, weight loss and sudden death. (2) Skin and hair disorders. (3) Nervous system disorders. (4) digestive organ disorders, liver dysfunction. (5) Affect antibody formation. (6) Parabenal disorders. Each person needs about 5mg per day (calcium pantothenate juice). |
| pharmacological action | pantothenic acid is the precursor of coenzyme a and is a substance necessary for various metabolic links (including carbohydrates, proteins and lipids). it can participate in the synthesis of steroids, porphyrins, acetylcholine and other substances, and can maintain normal epithelial function. |
| application | D-calcium pantothenate can be used as a nutritional supplement. Except for special nutritious foods, the usage must be less than 1% (calculated as calcium) (Japanese standard). When milk powder is fortified, it is 10mg/100g. Add 0.02% to shochu and whisky to enhance flavor. 0.02% added to honey can prevent winter crystallization. It can buffer the bitter taste of caffeine and saccharin. |
| preparation method | D-calcium pantothenate can be formed by aldol condensation of isobutyraldehyde and formaldehyde in the presence of potassium carbonate, then cyanidation and lactone into dl-pantoacolactone, and then reaction with calcium aminopropionate. |
| precautions | precautions for the use of D-calcium pantothenate: 1) pantothenic acid requirement increases when suffering from malabsorption syndrome caused by tropical stomatitis diarrhea, celiac disease or localized enteritis. 2) Patients with hemophilia should be cautious when taking medicine, because pantothenic acid can prolong the bleeding time. |
| store | storage of D-calcium pantothenate: store in a cool and dry place. |
| toxicity | LD50>10 g/kg (rat, oral). GRAS(FDA,§ 182.5212,§ 184.1212,2000). |
| use limit | GMP is limited (FDA 184.1212,2000). General food 1% (in terms of calcium, except for special nutrients; Japan, 1993). |
| use | biochemical research; Nutritional components of tissue culture medium. It is clinically used to treat vitamin B deficiency, peripheral neuritis and intestinal colic after surgery. As a food fortifier. Can be used for infant food, the usage amount is 15~28mg/kg; In the drink liquid is 2~4mg/kg. This product is a vitamin drug and is a component of coenzyme A. In the mixed calcium pantothenate, only the right-handed body has vitamin activity and participates in the metabolism of protein, fat and sugar in the body. It is used for vitamin B deficiency and peripheral neuritis, as well as intestinal colic after surgery. Combined with vitamin C can treat disseminated lupus erythematosus. The lack of calcium pantothenate in the human body has the following symptoms:(1) growth stops, weight loss, and sudden death. (2) Skin and hair disorders. (3) Nervous system disorders. (4) digestive organ disorders, liver dysfunction. (5) Affect antibody formation. (6) Parabenal disorders. The human body needs about 5mg of calcium pantothenate (based on pantothenic acid) every day. Calcium pantothenate is used as a nutritional supplement for food processing. Except for special nutritious foods, the usage must be less than 1% (calculated as calcium) (Japan). When milk powder is fortified, it is 10mg/100g. Add 0.02% to shochu and whisky to enhance flavor. 0.02% added to honey can prevent winter crystallization. It can buffer the bitter taste of caffeine and saccharin. Feed additives, food additives, in accordance with Pharmacopoeia USP28/BP2003 Nutritional supplements. It can enhance the flavor of shochu whisky and prevent honey from crystallization in winter. the premise of biosynthesis of coenzyme a, due to the easy deliquescence of pantothenic acid and other unstable characteristics, calcium salt is used as a substitute. |
| production method | is obtained from isobutyraldehyde by formaldehyde hydroxymethylation, addition, hydrolysis, acidification, internal esterification, acylation and addition. put formaldehyde and anhydrous potassium carbonate into the reaction pot, add isobutyraldehyde dropwise at 14~20 ℃, keep warm and stir for 3 hours after adding; Then let stand for 0.5h at 14~18 ℃ to obtain the upper oil 2,2-dimethyl -3-hydroxypropanal. Dissolve 2, 2-dimethyl-3-hydroxypropanal in 4 times of water, dissolve sodium cyanide in 6 times of water, dissolve calcium chloride in 2 times of water, and add the above solution to the reaction pot in turn; Add 50% sulfuric acid solution under stirring, react at 60~65 ℃ for 6h, and then raise the temperature to 80~85 ℃ for 3h; Concentrate under reduced pressure until thick, add 95% ethanol to precipitate and filter inorganic salts. After the filtrate is distilled under reduced pressure to recover ethanol, the fraction at 130~145 ℃(1.33~2.39kPa), namely γ-butyrolactone, is collected. Add β-aminopropionic acid, 5/6 methanol and lime to the reactor in turn, raise the temperature to 40 ℃, and stir for reaction for 2h; After the reaction liquid is standing, the supernatant liquid is pressed and filtered, and the solid residue in the pot is washed with 1/6 methanol and then pressed and filtered. The filtrate is placed in another reaction pot, γ-butyrolactone is added, stirred and dissolved, and reacted at room temperature for 40h to generate calcium pantothenate. Add water, stir, cool to O ~-5 ℃, add seed crystal, stir and crystallize for 24 hours, and filter to obtain racemic calcium pantothenate. Put 2/3 amounts of racemic calcium pantothenate and levopantothenate into the reaction pot, add methanol and water to heat to 40 ℃, stir and dissolve, and filter while hot, cool the filtrate to 15 ℃, add a small amount of levothenate calcium seed, and cultivate the crystal for 2 hours; when the specific rotation reaches 6 ° ~ 8 °, separate and crystallize, and wash with a small amount of methanol to obtain levopantothenate calcium (still used for resolution); the remaining 1/3 of the racemic calcium pantothenate was stirred and dissolved in the filtrate at 35~40 ℃, filtered and cooled to 15 ℃, a small amount of calcium pantothenate crystal was added, and the crystal was cultivated for 2 hours. When the specific rotation is -0.6 ~-0.8. Crystallization is separated, washed with a small amount of methanol and dried in vacuum to obtain calcium dextran. Calcium β-aminopropionate and α-hydroxy β,β-dimethyl-γ-butyl propyl ester are prepared by heating condensation. using isobutyraldehyde and the like as raw materials, obtained by hydroxymethylation, addition, hydrolysis, acidification, internal esterification and acylation, formaldehyde and anhydrous potassium carbonate are put into a reaction pot, isobutyraldehyde is added dropwise at 14-20 ℃, heated and stirred for 3 hours after adding, and then let stand for 0.5h at 14-18 ℃ to obtain the upper oil 2,2-dimethyl -3-hydroxypropanal. Dissolve 2, 2-dimethyl-3-hydroxypropanal in 4 times of water, dissolve sodium cyanide in 6 times of water, dissolve calcium clovarite in 2 times of water, and add the above solution to the reaction pot in turn, Add 50% sulfuric acid solution under stirring, react at 60-65 ℃ for 6h, then raise the temperature to 80-85 ℃ for 3h, and concentrate under reduced pressure until thick, 95% ethanol was added to precipitate and filter the inorganic salt. After the filtrate was distilled under reduced pressure to recover ethanol, the 130-145 ℃(1.33-2.39Kpa) fraction, namely γ-butyrolactone, was collected. β-aminopropionic acid, 5/6 methanol and lime were sequentially added to the reactor, the temperature was raised to 40 ℃, and the reaction was stirred for 2 hours. After the reaction liquid is left standing, the supernatant liquid is pressed and filtered. The solid residue in the pot is washed with 1/6 methanol and then filtered by pressure. The filtrate is placed in another reaction pot, added with γ-butyrolactone, stirred and dissolved, and placed at room temperature for 40h to react to produce calcium pantothenate. Add water, stir, cool to -5-0 ℃, add seed crystal, stir and crystallize for 24 hours, and filter to obtain racemic calcium pantothenate. Put 2/3 amount of racemic calcium pantothenate and levopantothenate into the reaction pot, add methanol and water, heat to 40 ℃, stir and dissolve, filter while hot, cool the filtrate to 15 ℃, add a small amount of levothenate calcium seed, and cultivate the crystal for 2 hours. When the specific rotation reaches 6 ° -8 °, the crystallization is separated and washed with a small amount of methanol to obtain calcium levopantothenate (still used for resolution). The remaining 1/3 of the racemic calcium pantothenate was stirred and dissolved in the filtrate at 35-40 ℃, filtered and cooled to 15 ℃, a small amount of calcium pantothenate seed was added, and the crystal was cultivated for 2 hours. Crystallization is separated when the specific rotation is -0.8 ° -0.6 °, washed with a small amount of methanol, and dried in vacuum to obtain calcium dexpantothenate. |
| category | toxic substances |
| toxicity classification | low toxicity |
| acute toxicity | oral-rat LD50: 10000 mg/kg; Oral-mouse LD50: 10000 mg/kg |
| flammability hazard characteristics | thermal decomposition discharges toxic nitrogen oxide smoke |
| storage and transportation characteristics | warehouse low temperature ventilation and drying |
| fire extinguishing agent | water, carbon dioxide, dry powder, foam |
Last Update：2024-04-09 21:01:54
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