| Identification | Back Directory | [Name]
Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) | [CAS]
213990-48-8 | [Synonyms]
(S)-3-Boc-amino-azepane
(S)-3-N-BOC-AMINOAZEPANE
(S)-tert-butyl azepan-3-ylcarbaMate
tert-butyl (S)-azepan-3-ylcarbamate
Tert-butyl N-[(3s)-azepan-3-yl]carbamate
Azepan-3-yl-carbaMic acid tert-butyl ester
Tert-butyl N-[(3s)-azepan-3-yl]carbamate HCL
Carbamic acid,[(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
Carbamic acid, N-[(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) | [Molecular Formula]
C11H22N2O2 | [MDL Number]
MFCD18831516 | [MOL File]
213990-48-8.mol | [Molecular Weight]
214.3 |
| Chemical Properties | Back Directory | [Boiling point ]
322.7±31.0 °C(Predicted) | [density ]
1.01±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [pka]
12.37±0.20(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
Under nitrogen protection, benzyl (3S)-3-[(tert-butoxycarbonyl)amino]azepane-1-carboxylate (17.4 g, 50 mmol) was dissolved in methanol (200 mL), followed by careful addition of palladium hydroxide (Pd(OH)2). A hydrogen gas balloon was introduced into the reaction system and the reaction mixture was stirred overnight at room temperature. Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to afford tert-butyl (S)-azepane-3-carbamate (10.5 g, 98% yield), which can be used in the next step of the reaction without further purification. The product was characterized as follows: 1H NMR (d6-DMSO) δ: 6.61 (d, 1H), 3.41 (m, 2H), 2.83 (m, 1H), 2.69 (m, 1H), 2.46 (m, 1H), 1.68 (m, 2H), 1.54 (m, 2H), 1.44 (m, 2H), 1.38 (m, 1H), 1.37 (s , 9H).LCMS (APCI): m/z = 215 [M+H]+. | [References]
[1] Patent: WO2005/66163, 2005, A2. Location in patent: Page/Page column 60 |
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