tert-Butyl (2-oxocyclohexyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-oxocyclohexyl)carbamate
• CAS No.: 291533-10-3
• Molecular Formula: C11H19NO3
• Molecular Weight: 213.277
• Hs Code.: 2924299090
• European Community (EC) Number: 963-291-1
• Mol file: 291533-10-3.mol

Synonyms:291533-10-3;tert-Butyl (2-oxocyclohexyl)carbamate;(2-Oxo-cyclohexyl)-carbamic acid tert-butyl ester;Tert-butyl N-(2-oxocyclohexyl)carbamate;(2-Oxo-cyclohexyl)-carbamicacidtert-butylester;2-N-BOC-AMINOCYCLOHEXANONE;MFCD06411244;TERT-BUTYL 2-OXOCYCLOHEXYLCARBAMATE;Carbamic acid, N-(2-oxocyclohexyl)-, 1,1-dimethylethyl ester;(R)-tert-butyl 2-oxocyclohexylcarbamate;2-(BOC-AMINO)CYCLOHEXANONE;MFCD09838824;MFCD09838825;(2-Oxocyclohexyl)carbamic acid tert-butyl ester;SCHEMBL999679;GHIGUHHFUUAJJN-UHFFFAOYSA-N;2-(N-BOC-amino)cyclohexane-1-one;tert-Butyl(2-oxocyclohexyl)carbamate;CARBAMIC ACID, (2-OXOCYCLOHEXYL)-, 1,1-DIMETHYLETHYL ESTER;CARBAMIC ACID,N-(2-OXOCYCLOHEXYL)-, 1,1-DIMETHYLETHYL ESTER;2-(t-butoxycarbonylamino)cyclohexanone;AKOS015899765;AM10367;CS-W022967;MB03815;SB17597;SB17598;DS-12155;SY029703;SY029704;SY045936;FT-0649461;FT-0693972;1,1-dimethylethyl (2-oxocyclohexyl)carbamate;2-[N-(t-butyloxycarbonyl)]amino-cyclohexanone;(2-Oxocyclohexyl)carbamic acidtert-butyl ester;A26950;EN300-1588420;A1-02962;J-502283;J-519997;S-(2-OXOCYCLOHEXYL)CARBAMIC ACID TERT-BUTYL ESTER;t-Butyl 2-oxocyclohexylcarbamate;Tert-butyl 2-oxocyclohexylcarbamate

Chemical Property of tert-Butyl (2-oxocyclohexyl)carbamate

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 335.9 °C at 760 mmHg
• PKA: 11.18±0.20(Predicted)
• Flash Point: 157 °C
• PSA: 55.40000
• Density: 1.06 g/cm³
• LogP: 2.41370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.13649347
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl(2-Oxocyclohexyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCCCC1=O

Technology Process of tert-Butyl (2-oxocyclohexyl)carbamate

There total 3 articles about tert-Butyl (2-oxocyclohexyl)carbamate 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:

(+/-)-trans-2-aminocyclohexanol (931-16-8,6850-38-0,6982-39-4,33092-82-9,38898-70-3,74111-21-0,108267-20-5,931-15-7) → 2-(tert-butoxycarbonylamino)cyclohexanone (291533-10-3)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: TPAP; NMO / CH₂Cl₂

With N-methyl-2-indolinone; tetrapropylammonium perruthennate; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.11.089

Reference yield:

(+/-)-trans-1-hydroxy-2-tert-butoxycarbonylamino-cyclohexane (121282-70-0,145166-06-9,477584-30-8) → 2-(tert-butoxycarbonylamino)cyclohexanone (291533-10-3)

Guidance literature:

With N-methyl-2-indolinone; tetrapropylammonium perruthennate; In dichloromethane;

DOI:10.1016/j.bmcl.2006.11.089

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → 2-(tert-butoxycarbonylamino)cyclohexanone (291533-10-3)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: TPAP; NMO / CH₂Cl₂

With N-methyl-2-indolinone; tetrapropylammonium perruthennate; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.11.089

upstream raw materials:

(+/-)-trans-1-hydroxy-2-tert-butoxycarbonylamino-cyclohexane

di-tert-butyl dicarbonate

(+/-)-trans-2-aminocyclohexanol

Downstream raw materials:

tert-butyl N-(2-hydroxy-2-methylcyclohexyl)carbamate

2-amino-1-methylcyclohexanol hydrochloride

(1S,2R)-2-(benzyloxycarbonylamino)cyclohexan-1-ol

(1S,2R)-(-)-1-tert-butoxycarbonylaminocyclohexan-2-ol

Refernces