Carbonochloridimidothioic acid, (2,6-dimethylphenyl)-, methyl ester

Base Information

• Chemical Name: Carbonochloridimidothioic acid, (2,6-dimethylphenyl)-, methyl ester
• CAS No.: 94518-64-6
• Molecular Formula: C10H12ClNS
• Molecular Weight: 213.731
• DSSTox Substance ID: DTXSID10474112
• Nikkaji Number: J467.274G
• Mol file: 94518-64-6.mol

Synonyms:94518-64-6;Carbonochloridimidothioic acid, (2,6-dimethylphenyl)-, methyl ester;DTXSID10474112

Chemical Property of Carbonochloridimidothioic acid, (2,6-dimethylphenyl)-, methyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.0378983
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N=C(SC)Cl

Technology Process of Carbonochloridimidothioic acid, (2,6-dimethylphenyl)-, methyl ester

There total 1 articles about Carbonochloridimidothioic acid, (2,6-dimethylphenyl)-, 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:

Methanesulfenyl chloride (5813-48-9) + 2,6-dimethylphenyl isonitrile (119072-54-7,2769-71-3) → C10H12ClNS (94518-64-6)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/jo00074a032

Reference yield: 55.0%

Benzophenone imine (1013-88-3) + C10H12ClNS (94518-64-6) → 1-(2,6-dimethylphenyl)-4,4-diphenyl-2-(methylthio)-1,3-diazabuta-1,3-diene (118514-82-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1021/jo00266a035

Reference yield: 54.0%

N,N-dimethylthioformamide (758-16-7) + tert-butylisonitrile (119072-55-8,7188-38-7) + C10H12ClNS (94518-64-6) → 5-(tert-Buthylamino)-4-(dimethylamino)-3-<(2,6-dimethylphenyl)amino>-2-(methylthio)thiazolium chloride

Guidance literature:

In tetrahydrofuran; for 12h; Ambient temperature;

DOI:10.1021/jo00074a032

upstream raw materials:

Methanesulfenyl chloride

2,6-dimethylphenyl isonitrile

Downstream raw materials:

1-(2,6-dimethylphenyl)-4,4-diphenyl-2-(methylthio)-1,3-diazabuta-1,3-diene

2-({[(Z)-2,6-Dimethyl-benzylimino]-methylsulfanyl-methylimino}-methylene)-3,3-diphenyl-butyric acid methyl ester

2,3-Dicyano-2-{[(Z)-2,6-dimethyl-phenylimino]-methylsulfanyl-methyl}-3,3-diphenyl-propionic acid methyl ester

3-Cyano-2-({[(Z)-2,6-dimethyl-phenylimino]-methylsulfanyl-methylimino}-methylene)-3,3-diphenyl-propionic acid methyl ester