bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate
2-amino-5-diethylaminopentane
CAS: 140-80-7
Molecular Formula: C9H22N2
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Names and Identifiers
| Name | 2-amino-5-diethylaminopentane |
| Synonyms | 4-aminopentyldiethylamine 2-amino-5-diethylaminopentane 4-AMINO-1-DIETHYLAMINOPENTANE 1-Diethylamino-4-aminopentane 5-DIETHYLAMINO-2-AMINOPENTANE 4-AMINO-1-DIETHYLAMINOPENTANE N1,N1-Diethyl-1,4-pentanediamine δ-Diethylamino-α-methylbutylamine 1,4-Pentanediamine, N1,N1-diethyl- N~1~,N~1~-diethylpentane-1,4-diamine 2-AMINO-5-DIETHYLAMINOPENTANE(NOVOLDIAMINE) bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate PAROXETINE HYDROCHLORIDE ,(-)TRANS-3-[(1,3-BENZODIOXOL-5-YLOXY) METHYL]-4-(4-FLUOROPHENYL) PAROXETINE HYDROCHLORIDE |
| CAS | 140-80-7 |
| EINECS | 205-435-1 |
| InChI | InChI=1/2C19H20FNO3.2ClH.H2O/c2*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;;/h2*1-6,9,14,17,21H,7-8,10-12H2;2*1H;1H2/t2*14-,17-;;;/m00.../s1 |
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Physico-chemical Properties
| Molecular Formula | C9H22N2 |
| Molar Mass | 158.28 |
| Density | 0.817g/mLat 25°C(lit.) |
| Melting Point | 37.5°C (estimate) |
| Boling Point | 101 °C / 37mmHg |
| Flash Point | 155°F |
| Vapor Presure | 2.39E-08mmHg at 25°C |
| Appearance | clear liquid |
| Specific Gravity | 0.82 |
| Color | Colorless to Almost colorless |
| Merck | 14,6723 |
| pKa | 10.81±0.35(Predicted) |
| Refractive Index | n20/D 1.4429(lit.) |
| Physical and Chemical Properties | Strong alkaline liquid with ammonia odor. boiling point 142~144 ℃ relative density 0.819 refractive index 1.4430 soluble in water, ethanol and ether. |
| Use | Intermediates for the manufacture of antimalarial drug chloroquine phosphate |
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2946 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | XE1900000 |
| Hazard Class | 8 |
| Packing Group | III |
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Nature
Open Data Verified Data
strong alkaline liquid, ammonia odor. The relative density was 0.819. Boiling point 142~144 deg C. Refractive index 4403. Soluble in water, ethanol and ether.
Last Update：2024-01-02 23:10:35
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Preparation Method
Open Data Verified Data
1 diethylamino-4-pentanone is fed into a reactor containing ethanol, active nickel catalyst is added, liquid ammonia is introduced, and then hydrogen is introduced into the reactor. 7355~0. The hydrogenation was carried out at a pressure of 7845MPA and a temperature of 92 to 125 ° C. To obtain crude 1-ethylamino-4-aminopentane. After removing the catalyst by pressure filtration, the ethanol was recovered first, and then distilled under reduced pressure, and the fraction of 94~130 ℃(1. 333kPa) was collected to obtain the finished product.
Last Update：2022-01-01 10:35:51
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Use
Open Data Verified Data
This product is an intermediate for the manufacture of antimalarial drug chloroquine phosphate.
Last Update：2022-01-01 10:35:50
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Safety
Open Data Verified Data
- This product is highly alkaline, its vapor is irritating to the skin and respiratory tract, and there is a chronic poisoning phenomenon in long-term contact. Operators should wear protective equipment, production equipment should be closed, to avoid direct contact with the human body, the production site should maintain good ventilation.
- This product is packaged in an iron drum and placed in a dry and ventilated place.
Last Update：2022-01-01 10:35:51
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2-amino-5-diethylaminopentane is a hydrocarbon organic, it can be prepared from diethylaminopentanol in one step. It has been reported in the literature that it can be used to prepare Nur77 receptor modulators. |
| preparation | catalyst preparation: Nickel nitrate containing 4.48% NiO,1.52% CuO and 2.82% ZrO2, the aqueous solution of copper nitrate and zirconium acetate was placed in a stirred vessel at a constant temperature while the aqueous solution of 20% sodium carbonate was kept at a constant temperature of 70 ° C. To maintain the pH measured with a 7.0 glass electrode. The obtained suspension was filtered and the filter cake was washed with deionized water until the conductivity of the filtrate was about 20 μs. This amount of ammonium heptamolybdate was then incorporated into the still wet filter cake to obtain the following specified oxide mixtures. The filter cake was then dried in a drying oven or spray dryer at a temperature of 150 °c. The hydroxide/carbonate mixture obtained in this way was then heated at a temperature of 500 °c for 4 hours. The catalyst thus obtained had the following composition: 50 wt% of NiO,17 wt% of CuO,1.5 wt% of MoO3 and 31.5 wt% of zro2. The catalyst powder was mixed with 3% by weight of graphite and a 6 × 3mm sheet deformation was made. The tablets had a porosity (measured by water absorption) of 0.20/g and a hardness of 3500N/cm2. reaction operation: 60 litres of catalyst (Type A) per hour in a continuously operated high pressure reactor at 200 bar and 155-157°C, 15 liters of diethylaminopentanol and 40 liters of ammonia (corresponding to a molar ratio of 1:20) were added every hour. At a conversion of 80%, the furnace discharge showed a product selectivity of 91%. |
| Use | is an intermediate in the manufacture of the antimalarial drug chloroquine phosphate pharmaceutical intermediate. For the manufacture of miparine hydrochloride, antimalarial drug chloroquine phosphate. intermediates for the manufacture of antimalarial drug chloroquine phosphate |
| production method | 5-diethylamino-2-pentanone dissolved in anhydrous ethanol, then, 5-diethylamino-2-pentanone, active nickel and anhydrous ethanol were added to the reaction tank and stirred, and liquid ammonia was introduced below 30 °c. The stirring was stopped, and the air was replaced 3 times with nitrogen, and the nitrogen was replaced 3 times with hydrogen. Hydrogen was supplied to 0.15MPa, pressurized to an internal pressure of 0.59MPa and an internal temperature of 95 ° C., and then maintained at 0.7-0.79MPa until hydrogen was no longer absorbed. After cooling, the hydrogen gas was discharged and replaced with nitrogen. The catalyst was filtered off, and ethanol was recovered from the filtrate under normal pressure. Then, a 94-130 ° C. (1.33kPa) fraction was distilled under reduced pressure to obtain 2-amino-5-diethylaminopentane. Yield 88% Product Specification: colorless transparent liquid, content ≥ 95%. Raw material consumption quota: 5-diethylamino-2-pentanone (87%)1016kg/t, liquid ammonia (industrial) 132kg/t, nickel aluminum alloy (industrial) 4kg/t, anhydrous ethanol (industrial) 364kg/t, hydrogen (99%)395. |
Last Update：2024-04-09 02:00:04
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View History
bis[(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine] dihydrochloride hydrate
3-((2-Bromocyclohexyl)oxy)tetrahydrofuran
METHYL 3-HYDROXY-5-TRIFLUOROMETHYLTHIOPHENE-2-CARBOXYLATE
2-甲氧基萘甲酸
依托度酸甲酯
N-(tert-Butyl)benzylamine
Boc-D-3-Amino-3-(2-methylphenyl)-propionic acid
3,4-二氯-N-[2-(二甲基氨基)环己基]-N-甲基苯甲酰胺
N-ALPHA-BOC-L-ARGININE HYDROCHLORIDE SALT MONOHYDRATE
1,6-Dimethyl-6a-hydroxy-6,6a,7,8-tetrahydro-2,5-dioxa-1H-cyclohept[jkl]-as-indacene-1,6-dicarboxylic acid diethyl ester
3-((2-Bromocyclohexyl)oxy)tetrahydrofuran
METHYL 3-HYDROXY-5-TRIFLUOROMETHYLTHIOPHENE-2-CARBOXYLATE
2-甲氧基萘甲酸
依托度酸甲酯
N-(tert-Butyl)benzylamine
Boc-D-3-Amino-3-(2-methylphenyl)-propionic acid
3,4-二氯-N-[2-(二甲基氨基)环己基]-N-甲基苯甲酰胺
N-ALPHA-BOC-L-ARGININE HYDROCHLORIDE SALT MONOHYDRATE
1,6-Dimethyl-6a-hydroxy-6,6a,7,8-tetrahydro-2,5-dioxa-1H-cyclohept[jkl]-as-indacene-1,6-dicarboxylic acid diethyl ester