二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-甲氧基-2-氧代-乙基]铵
L(+)-Histidine methyl ester dihydrochloride
CAS: 7389-87-9
Molecular Formula: C7H13Cl2N3O2
二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-甲氧基-2-氧代-乙基]铵 - Names and Identifiers
| Name | L(+)-Histidine methyl ester dihydrochloride |
| Synonyms | Hisoome.2hcl
H-His-OMe*2HCl H-His-OMe·2HCl H-His-OMe.2HCl H-His-OMe . 2 HCl methyl L-histidinate dihydrochloride L-HISTIDINE METHYL ESTER HYDROCHLORIDE L-HISTIDINE METHYL ESTER DIHYDROCHLORIDE L-Histidine methyl ester dihydrochloride L(+)-HISTIDINE METHYL ESTER DIHYDROCHLORIDE L(+)-Histidine methyl ester dihydrochloride L-HISTIDINE METHYL ESTER DIHYDROCHLORIDE SALT (S)-Methyl 2-aMino-3-(1H-iMidazol-4-yl)propanoate dihydrochloride [(1S)-1-(3H-imidazol-1-ium-4-ylmethyl)-2-keto-2-methoxy-ethyl]ammonium dichloride Methyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride, H-His-OMe.2HCl |
| CAS | 7389-87-9 |
| EINECS | 230-973-9 |
| InChI | InChI=1/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1 |
| InChIKey | DWAYENIPKPKKMV-ILKKLZGPSA-N |
二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-甲氧基-2-氧代-乙基]铵 - Physico-chemical Properties
| Molecular Formula | C7H13Cl2N3O2 |
| Molar Mass | 242.1 |
| Melting Point | 207°C (dec.)(lit.) |
| Boling Point | 368.2°C at 760 mmHg |
| Specific Rotation(α) | 9 º (c=2 in H2O) |
| Flash Point | 176.5°C |
| Water Solubility | Soluble in dimethyl sulfoxide, methanol and water. |
| Solubility | 100g/l |
| Vapor Presure | 1.29E-05mmHg at 25°C |
| Appearance | Crystallization |
| Color | White |
| BRN | 3572010 |
| Storage Condition | Inert atmosphere,2-8°C |
| Sensitive | Hygroscopic |
| Refractive Index | 10 ° (C=2, H2O) |
| MDL | MFCD00012701 |
二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-甲氧基-2-氧代-乙基]铵 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29332900 |
| Hazard Class | IRRITANT |
二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-甲氧基-2-氧代-乙基]铵 - Reference Information
| Application | L-histidine methyl ester Dihydrochloride is an important synthesis of pharmaceutical and biochemical, its synthesis and detection are of great significance. It has been studied that L-histidine (L-histidine salt) Methanol, sodium chloride and sulfuric acid are reacted under ice bath conditions to obtain L-histidine methyl ester dihydrochloride. And its structure was determined by melting point and Infrared characterization, in order to determine its structure, and provide raw materials for the synthesis of other chemical products. |
| preparation | A ml round-necked flask was charged with 23.38G of NaCl(0.4 ml), HCI gas was generated as reflected by dropwise addition of concentrated sulfuric acid and NaCI at room temperature by adding 21.6ml of concentrated sulfuric acid (0.4m 198%) to an atmospheric funnel. Add L-histidine 3.15g(0.02mol,155.16g/mol) and 60ml of Methanol (anhydrous methanol, remove water with anhydrous sodium sulfate, anhydrous copper sulfate test for complete removal of water). The HCI gas in methanol was saturated by passing the HCI gas for 25 minutes. Then heated to 65 ° C., the suspension began to dissolve slowly, and after 10min After dissolution was complete, precipitation occurred. Thereafter, an average of 5 to 6 bubbles per minute in methanol were maintained with normal bubbling for 15min per hour. The HC1 gas in the methanol was kept in a relatively saturated state at all times (when it was found that the glass tube vented in the flask had no back-sucking phenomenon regardless of the presence or absence of HC1 gas generation). At the same time, every 1 hour point plate once. The formulation of the developer: according to the ratio of n-butanol and concentrated ammonia 2 to 1, in the test, 20 drops of butanol, 10 drops of concentrated ammonia, slightly more chlorine water. Configuration of indicator: the required indicator for the experiment is 0.1% ninhydrin anhydrous acetone solution, 0.05g of the indanone solid was weighed, dissolved in 50ml of the acrylic acid obtained by removing water with anhydrous sodium sulfate, and stored in a drop bottle. The developing agent and the indicator are mixed in a ratio of 10 to 1 as the developing agent for this test, and the test is to drop 3 drops of indanone anhydrous acetone solution into the spot jar. After 3 hours of reaction, the reaction solution was extracted and the plate was spotted. After 8 hours of reaction, Shixiao reaction solution was extracted and the plate was spotted. After 4 hours of reaction, the esterification of the starting material (L-histidine) with methanol in the reaction solution had reached equilibrium. After the test, 18.5ml of ethyl acetate was added to the flask after 8 hours. After stirring for half an hour, a small amount of ethyl acetate was added, and stirring was continued for half an hour before filtration. The filter cake was then washed with isopropyl ether and dried in air. The measured melting point was 206 °c and the calculated yield was 70%. |
Last Update：2024-04-09 02:00:11
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View History
二氯化[(1S)-1-(3H-咪唑基-1-嗡-4-基甲基)-2-甲氧基-2-氧代-乙基]铵
N N-DIETHYLAMINOETHYL BROMIDEHYDROBROMIDE
4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3]嘧啶-5-基)乙基]苯甲酰基-L-谷氨酸二乙酯
TRI-P-ISOPROPYLPHENYLPHOSPHATE
Glycochenodeoxycholate
N-(4-甲基-2-氨基吡啶-3-基)-2-氯吡啶-3-甲酰胺
N N-DIETHYLAMINOETHYL BROMIDEHYDROBROMIDE
4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3]嘧啶-5-基)乙基]苯甲酰基-L-谷氨酸二乙酯
TRI-P-ISOPROPYLPHENYLPHOSPHATE
Glycochenodeoxycholate
N-(4-甲基-2-氨基吡啶-3-基)-2-氯吡啶-3-甲酰胺