Carbamic acid, [(4-bromophenyl)thioxomethyl]-, ethyl ester

Base Information

Chemical Name:Carbamic acid, [(4-bromophenyl)thioxomethyl]-, ethyl ester
CAS No.:57774-75-1
Molecular Formula:C10H10BrNO2S
Molecular Weight:288.16100
Hs Code.:
DSSTox Substance ID:DTXSID30476577
Wikidata:Q82308098

Synonyms:57774-75-1;Carbamic acid, [(4-bromophenyl)thioxomethyl]-, ethyl ester;SCHEMBL17803184;DTXSID30476577

Suppliers and Price of Carbamic acid, [(4-bromophenyl)thioxomethyl]-, ethyl ester

Supply Marketing:

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

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Chemical Property of Carbamic acid, [(4-bromophenyl)thioxomethyl]-, ethyl ester

Chemical Property:

PSA：73.91000
LogP:3.07510
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:286.96156
Heavy Atom Count:15
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)NC(=S)C1=CC=C(C=C1)Br

Technology Process of Carbamic acid, [(4-bromophenyl)thioxomethyl]-, ethyl ester

There total 2 articles about Carbamic acid, [(4-bromophenyl)thioxomethyl]-, ethyl 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:

: 108-86-1,52753-63-6
bromobenzene

: 16182-04-0
Ethoxycarbonyl isothiocyanate

: 57774-75-1
ethyl N-(4-bromobenzenecarbothioyl)carbamate

Guidance literature:: With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 4h;

Reference yield:

: 57774-75-1
ethyl N-(4-bromobenzenecarbothioyl)carbamate

Guidance literature:: Brombenzol, Ethoxycarbonylisothiocyanat/ AlCl3;
DOI:10.1021/jo00868a013

Reference yield: 80.0%

: 15709-76-9
tris(triphenylphosphino)copper(I) chloride

: 57774-75-1
ethyl N-(4-bromobenzenecarbothioyl)carbamate

: 505058-72-0
[CuCl(N-carboethoxy-4-bromobenzene thioamide)(PPh₃)2]

Guidance literature:: In benzene; byproducts: PPh3; soln. N-carboethoxy-4-bromobenzene thioamide (benzene), soln. CuCl(PPh3)3 (benzene); mixed at 25°C; heated under reflux for 0.5 to 1 h; concd. to half volume under reduced pressure; addition of petroleum ether (60-80°C); stand for 2-3 h; filtered;washed several times (petroleum ether); dried in vac.; elem. anal.;
DOI:10.1081/SIM-120016465