Carbamic acid, ethenyl(phenylmethyl)-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Carbamic acid, ethenyl(phenylmethyl)-, 1,1-dimethylethyl ester
• CAS No.: 142977-32-0
• Molecular Formula: C14H19NO2
• Molecular Weight: 233.31
• DSSTox Substance ID: DTXSID00456245
• Nikkaji Number: J889.229F
• Mol file: 142977-32-0.mol

Synonyms:142977-32-0;Carbamic acid, ethenyl(phenylmethyl)-, 1,1-dimethylethyl ester;TERT-BUTYL N-BENZYL-N-ETHENYLCARBAMATE;tert-butyl N-ethenyl-N-(phenylmethyl)carbamate;DTXSID00456245;tert-Butyl benzyl(ethenyl)carbamate;Benzylvinylcarbamic acid tert-butyl ester;A807994;N-ethenyl-N-(phenylmethyl)carbamic acid tert-butyl ester

Chemical Property of Carbamic acid, ethenyl(phenylmethyl)-, 1,1-dimethylethyl ester

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C=C

Technology Process of Carbamic acid, ethenyl(phenylmethyl)-, 1,1-dimethylethyl ester

There total 5 articles about Carbamic acid, ethenyl(phenylmethyl)-, 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: 63.0%

N-benzyl-N-vinylcarbamoyl chloride (52884-88-5) + tert-butyl alcohol (75-65-0) → Benzyl-vinyl-carbamic acid tert-butyl ester (142977-32-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; 0 deg C -> r.t.;

DOI:10.1016/S0040-4039(00)92669-8

Reference yield:

N-ethylidenebenzylamine (34233-75-5) → Benzyl-vinyl-carbamic acid tert-butyl ester (142977-32-0)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / benzene / 2 h / Ambient temperature

2: Heating

3: 63 percent / 60 percent NaH / tetrahydrofuran; paraffin

With sodium hydride; triethylamine; In tetrahydrofuran; paraffin; benzene;

DOI:10.1016/S0040-4020(01)89665-4

Reference yield:

N-benzyl-N-(1-chloroethyl)carbamoyl chloride (146657-27-4) → Benzyl-vinyl-carbamic acid tert-butyl ester (142977-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Heating

2: 63 percent / 60 percent NaH / tetrahydrofuran; paraffin

With sodium hydride; In tetrahydrofuran; paraffin;

DOI:10.1016/S0040-4020(01)89665-4

upstream raw materials:

N-benzyl-N-vinylcarbamoyl chloride

tert-butyl alcohol

N-ethylidenebenzylamine

N-benzyl-N-(1-chloroethyl)carbamoyl chloride

Downstream raw materials:

t-butyl N-benzyl-N-<(1R*,2R*)-2-fluorocyclopropyl>carbamate

t-butyl N-benzyl-N-<(1R*,2S*)-2-fluorocyclopropyl>carbamate