Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester

Base Information

Chemical Name:Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester
CAS No.:77152-98-8
Molecular Formula:C11H14N2O2S
Molecular Weight:238.31
Hs Code.:
DSSTox Substance ID:DTXSID101236154

Synonyms:Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester;DTXSID101236154;77152-98-8;Phenylmethyl N-(3-amino-3-thioxopropyl)carbamate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:238.07759887
Heavy Atom Count:16
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)NCCC(=S)N

Technology Process of Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester

There total 3 articles about Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl 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: 89.0%

: 18877-96-8
3-<<(benzyloxy)carbonyl>amino>propionitrile

: 77152-98-8
3-<<(benzyloxy)carbonyl>amino>propiothioamide

Guidance literature:: With hydrogen sulfide; diethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h; under 3800 Torr;
DOI:10.1002/jhet.5570210310

Reference yield:

: 501-53-1,94274-21-2
benzyl chloroformate

: 77152-98-8
3-<<(benzyloxy)carbonyl>amino>propiothioamide

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / aq. NaOH / CH₂Cl₂ / 0.17 h / 0 °C

2: 70 percent / H₂S, NEt₃ / pyridine / 10 h / 0 °C

With sodium hydroxide; hydrogen sulfide; triethylamine; In pyridine; dichloromethane;
DOI:10.1002/ardp.19933260505

Reference yield:

: 501-53-1,94274-21-2
benzyl chloroformate

: 77152-98-8
3-<<(benzyloxy)carbonyl>amino>propiothioamide

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH

2: NH₃, H₂S, EtOH

With sodium hydroxide; ethanol; hydrogen sulfide; ammonia;