Carbamic acid, 3-azabicyclo[3.1.0]hex-1-yl-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, 3-azabicyclo[3.1.0]hex-1-yl-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 204991-14-0
• Molecular Formula: C10H18 N2 O2
• Molecular Weight: 198.26212
• Hs Code.: 2933990090
• Mol file: 204991-14-0.mol

Synonyms:Carbamic acid, 3-azabicyclo[3.1.0]hex-1-yl-, 1,1-dimethylethyl ester (9CI)

Chemical Property of Carbamic acid, 3-azabicyclo[3.1.0]hex-1-yl-, 1,1-dimethylethyl ester (9CI)

Chemical Property:

• Boiling Point: 297.4±19.0 °C(Predicted)
• PKA: 12.58±0.20(Predicted)
• PSA: 53.85000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 1.40620
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99%, ^*data from raw suppliers

1,1-Dimethylethyl3-Azabicyclo[3.1.0]hex-1-yl-carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbamic acid, 3-azabicyclo[3.1.0]hex-1-yl-, 1,1-dimethylethyl ester (9CI)

There total 5 articles about Carbamic acid, 3-azabicyclo[3.1.0]hex-1-yl-, 1,1-dimethylethyl ester (9CI) 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: 72.0%

tert-butyl (3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)carbamate → tert-butyl N-{3-azabicyclo[3.1.0]hexan-1-yl}carbamate (204991-14-0,181941-45-7)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In methanol; under 760.051 Torr;

DOI:10.1016/j.tetlet.2018.11.047

Reference yield:

1-tert-butoxycarbonylamino-3-[(1S)-phenylethyl]-3-azabicyclo[3.1.0]hexane → tert-butyl N-{3-azabicyclo[3.1.0]hexan-1-yl}carbamate (204991-14-0,181941-45-7)

Guidance literature:

palladium-carbon; In ethanol;

Reference yield:

ethyl 1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylate (128259-46-1) → tert-butyl N-{3-azabicyclo[3.1.0]hexan-1-yl}carbamate (204991-14-0,181941-45-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydride / mineral oil; dimethyl sulfoxide / 1 h / 25 °C

1.2: 1 h / 25 °C

2.1: hydrogenchloride / water / Reflux

3.1: diphenyl phosphoryl azide; triethylamine / toluene / 90 °C / Dean-Stark; Reflux

3.2: 90 °C / Reflux

4.1: hydrogen; 10 wt% Pd(OH)2 on carbon / methanol / 760.05 Torr

With hydrogenchloride; diphenyl phosphoryl azide; 10 wt% Pd(OH)2 on carbon; hydrogen; sodium hydride; triethylamine; In methanol; water; dimethyl sulfoxide; toluene; mineral oil; 3.2: |Curtius Rearrangement;

DOI:10.1016/j.tetlet.2018.11.047

upstream raw materials:

ethyl 1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylate

ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

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