Carbamic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Carbamic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
• CAS No.: 1354351-56-6
• Molecular Formula: C₁₁H₂₂N₂O₂
• Molecular Weight: 214.308
• Hs Code.: 2933990090
• Mol file: 1354351-56-6.mol

Synonyms:CarbaMic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-diMethylethyl ester;(R)-3-Boc-amino-azepane

Chemical Property of Carbamic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester

Chemical Property:

• Boiling Point: 322.7±31.0 °C(Predicted)
• PKA: 12.37±0.20(Predicted)
• PSA: 53.85000
• Density: 1.01±0.1 g/cm3(Predicted)
• LogP: 2.18640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

(R)-tert-Butylazepan-3-ylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbamic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester

There total 15 articles about Carbamic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

benzyl (3S)-3-[(tert-butoxycarbonyl)amino]azepane-1-carboxylate (860354-53-6) → tert-butyl (3S)-azepan-3-ylcarbamate (213990-48-8,1354351-56-6)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; at 18 - 25 ℃;

Reference yield: 87.0%

3(R)--2-oxoperhydroazepine (106691-72-9) → (R)-3-tert-butyloxycarbonylamino-1H-azacycloheptane (1354351-56-6)

Guidance literature:

3(R)--2-oxoperhydroazepine; With methyl trifluoromethanesulfonate; In dichloromethane; at 25 ℃; for 4h;

With platinum on carbon; hydrogen; In methanol; at 25 ℃; for 4h; under 3750.38 Torr; Autoclave;

DOI:10.1055/a-1526-7657

Reference yield: 71.0%

→ 3-tert-butyloxycarbonylamino-1H-azacycloheptane (454451-26-4,1354351-56-6)

Guidance literature:

upstream raw materials:

Methanesulfonic acid (S)-2-tert-butoxycarbonylamino-6-methanesulfonyloxy-hexyl ester

L-homoglutamic acid

(S)-dimethyl 2-aminohexanedioate hydrochloride

tert-butyl [(1S)-5-hydroxy-1-(hydroxymethyl)pentyl]carbamate

Downstream raw materials:

1-[1-(2-cyanobenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]-homopiperidin-3-yl tert-butyl carbamate

2-[[7-(3-aminohomopiperidin-1-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b] pyridin-1-yl]methyl]benzonitrile trifluoroacetate