1-Boc-4-Cbz-Aminoazepane

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1-Boc-4-Cbz-Aminoazepane Basic information
Product Name:1-Boc-4-Cbz-Aminoazepane
Synonyms:1-Boc-4-Cbz-Aminoazepane;tert-butyl 4-(benzyloxycarbonylamino)azepane-1-carboxylate;1,1-dimethylethyl 4-({[(phenylmethyl)oxy]carbonyl}amino)hexahydro-1H-azepine-1-carboxylate;3-(t-butoxycarbonylamino)pyridazine;tert-butyl N-(3-pyridazinyl)carbamate;1H-Azepine-1-carboxylic acid, hexahydro-4-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester;tert-butyl pyridazin-3-ylcarbamate
CAS:878630-96-7
MF:C19H28N2O4
MW:348.44
EINECS:
Product Categories:
Mol File:878630-96-7.mol
1-Boc-4-Cbz-Aminoazepane Structure
1-Boc-4-Cbz-Aminoazepane Chemical Properties
Boiling point 484.9±44.0 °C(Predicted)
density 1.14±0.1 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2–8 °C
pka12.26±0.20(Predicted)
Safety Information
MSDS Information
1-Boc-4-Cbz-Aminoazepane Usage And Synthesis
Synthesis
1-Boc-hexahydro-1H-azepin-4-amine

196613-57-7

Benzyl chloroformate

501-53-1

1-Boc-4-Cbz-Aminoazepane

878630-96-7

a) Synthesis of 1,1-dimethylethyl 4-((benzyloxycarbonyl)amino)hexahydro-1H-azepane-1-carboxylate: 1,1-dimethylethyl 4-aminohexahydro-1H-azepane-1-carboxylate (2.85 g, 13.32 mmol) was dissolved in dichloromethane (50 mL) and benzyl chloroformate (2.30 mL, 15.98 mmol) was added. ) and triethylamine (5.3 mL, 40.0 mmol). The reaction mixture was stirred at room temperature for 4 hours. After completion of the reaction, the organic layer was washed with saturated sodium bicarbonate solution and brine, dried with magnesium sulfate, filtered and concentrated to obtain the crude product. Purification by column chromatography (30%-70% ethyl acetate/hexane) afforded tert-butyl 4-(((benzyloxy)carbonyl)amino)azepane-1-carboxylate as a white solid in 82% (3.8 g) yield.LCMS (M + H): 349.

References[1] Patent: WO2006/29154, 2006, A2. Location in patent: Page/Page column 51-52
[2] Patent: US2011/251176, 2011, A1. Location in patent: Page/Page column 123
1-Boc-4-Cbz-Aminoazepane Preparation Products And Raw materials
Raw materials1-Boc-hexahydro-1H-azepin-4-amine-->Dichloromethane-->Benzyl chloroformate-->Triethylamine
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