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

Base Information

Chemical Name:Carbamic acid, [[(4-methylphenyl)amino]thioxomethyl]-, ethyl ester
CAS No.:52009-44-6
Molecular Formula:C11H14N2O2S
Molecular Weight:238.31
Hs Code.:
DSSTox Substance ID:DTXSID00356711
Nikkaji Number:J1.608.577D
Wikidata:Q82136243
Mol file:52009-44-6.mol

Synonyms:52009-44-6;ethyl N-[(4-methylphenyl)carbamothioyl]carbamate;Carbamic acid, [[(4-methylphenyl)amino]thioxomethyl]-, ethyl ester;ethyl 4-toluidinocarbothioylcarbamate;SCHEMBL21597667;DTXSID00356711;AKOS002162024;AF-399/40960371

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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, [[(4-methylphenyl)amino]thioxomethyl]-, ethyl ester

Chemical Property:

PSA：89.49000
LogP:2.92220
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:238.07759887
Heavy Atom Count:16
Complexity:250

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)NC(=S)NC1=CC=C(C=C1)C

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

There total 1 articles about Carbamic acid, [[(4-methylphenyl)amino]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: 94.0%

: 106-49-0,12221-03-3
p-toluidine

: 16182-04-0
Ethoxycarbonyl isothiocyanate

: 52009-44-6
N-(p-methylphenyl)-N'-(ethoxycarbonyl)thiourea

Guidance literature:: In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;

Reference yield: 99.0%

: 110-91-8,99108-56-2
morpholine

: 52009-44-6
N-(p-methylphenyl)-N'-(ethoxycarbonyl)thiourea

: [1-Morpholin-4-yl-1-p-tolylamino-meth-(Z)-ylidene]-carbamic acid ethyl ester

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃;
DOI:10.1021/jo991458q

Reference yield: 99.0%

: 52009-44-6
N-(p-methylphenyl)-N'-(ethoxycarbonyl)thiourea

: 100-46-9
benzylamine

: C₂H₅O₂CNC(NHC₆H₄CH₃)NHCH₂C₆H₅

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃;
DOI:10.1021/jo991458q