Identification | Back Directory | [Name]
3-AMINO-3-METHYL-BUTYRIC ACID ETHYL ESTER HCL | [CAS]
85532-40-7 | [Synonyms]
ETHYL 3-AMINO-3-METHYLBUTANOATE, HCL 3-aMino-3-Methylhexanoate hydrochloride Ethyl 3-Amino-3-methylbutyrate Hydrochloride Ethyl 3-aMino-3-Methylbutanoate hydrochloride 3-AMINO-3-METHYL-BUTYRIC ACID ETHYL ESTER HCL Ethyl3-Amino-3-methylbutyrateHydrochloride> 3-Amino-3-methylbutanoicacidethylesterhydrochloride 3-Amino-3-methyl-butyric acid ethyl ester x HCl, 98% 3-Amino-3-methylbutyric Acid Ethyl Ester Hydrochloride | [Molecular Formula]
C7H15NO2.ClH | [MDL Number]
MFCD11844787 | [MOL File]
85532-40-7.mol | [Molecular Weight]
181.661 |
Chemical Properties | Back Directory | [Melting point ]
99.0 to 103.0 °C | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder to crystal | [color ]
White to Almost white | [InChIKey]
HFBJSIGXRKAYAF-UHFFFAOYSA-N |
Hazard Information | Back Directory | [Uses]
Ethyl 3-amino-3-methylbutanoate, HCl | [Synthesis]
General procedure for the synthesis of 3-amino-3-methylbutanoic acid ethyl ester hydrochloride from 3-methyl-2-butenoic acid ethyl ester: 3-methyl-2-butenoic acid ethyl ester (1 g, 7.8 mmol) was dissolved in anhydrous ethanol (12 mL), cooled to -20 °C and passed through ammonia to saturation. The reaction tube was sealed and the reaction was carried out at 90 °C for 24 hours. Upon completion of the reaction, the reaction was cooled to room temperature and nitrogen was passed through to remove residual ammonia, followed by the addition of a dioxane solution (1.9 mL) in 4N HCl. After stirring for 30 min, the reaction mixture was concentrated under reduced pressure to afford ethyl 3-amino-3-methylbutyrate hydrochloride as a gray solid (1.19 g, 84% yield).1H NMR (CDCl3, 400 MHz) δ ppm: 1.2 (t, 3H), 1.26 (s, 6H), 2.65 (s, 2H), 4.1 (q, 2H), 8.27 (br s, 3H). | [References]
[1] Journal of Medicinal Chemistry, 2009, vol. 52, # 2, p. 293 - 307 [2] Patent: WO2005/13986, 2005, A1. Location in patent: Page/Page column 36 [3] Patent: WO2005/14572, 2005, A1. Location in patent: Page/Page column 26; 27 [4] Patent: US2007/142414, 2007, A1. Location in patent: Page/Page column 17 [5] Patent: WO2008/20206, 2008, A2. Location in patent: Page/Page column 50 |
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