Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester
CAS No.:96221-91-9
Molecular Formula:C15H14N2O2S
Molecular Weight:286.354
Hs Code.:
DSSTox Substance ID:DTXSID10384525
Wikidata:Q82176728

Synonyms:96221-91-9;Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester;Maybridge1_003620;Oprea1_743603;HMS551M12;DTXSID10384525;CCG-55942;AKOS003438522;SR-01000644938-1

Suppliers and Price of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:286.07759887
Heavy Atom Count:20
Complexity:343

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1NC(=S)NC2=CC=CC=C2

Technology Process of Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl ester

There total 5 articles about Benzoic acid, 2-[[(phenylamino)thioxomethyl]amino]-, methyl 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: 95.6%

: 103-72-0
phenyl isothiocyanate

: 134-20-3
2-carbomethoxyaniline

: 96221-91-9
N-o-Carbomethoxyphenyl-N'-phenylthiourea

Guidance literature:: In methanol; for 3h; Heating;

Reference yield:

: 701-73-5
methyl N-phenyldithiocarbamate

: 134-20-3
2-carbomethoxyaniline

: 96221-91-9
N-o-Carbomethoxyphenyl-N'-phenylthiourea

Guidance literature:: With potassium carbonate; In ethanol; for 18h; Heating;
DOI:10.1016/j.bmc.2006.09.065

Reference yield:

: 62-53-3
aniline

: 96221-91-9
N-o-Carbomethoxyphenyl-N'-phenylthiourea

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / dimethylsulfoxide; H₂O / 0.5 h

1.2: dimethylsulfoxide; H₂O / 2 h / cooling

2.1: potassium carbonate / ethanol / 18 h / Heating

With sodium hydroxide; potassium carbonate; In ethanol; water; dimethyl sulfoxide;
DOI:10.1016/j.bmc.2006.09.065