methyl N-(2-chlorophenyl)carbamodithioate

Base Information

• Chemical Name: methyl N-(2-chlorophenyl)carbamodithioate
• CAS No.: 13037-24-6
• Molecular Formula: C8H8 Cl N S2
• Molecular Weight: 217.743
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10156481
• Nikkaji Number: J33.943A
• Mol file: 13037-24-6.mol

Synonyms:13037-24-6;methyl N-(2-chlorophenyl)carbamodithioate;o-Chlorophenyldithiocarbamic acid methyl ester;o-Chlorodithiocarbanilic acid methyl ester;BRN 2804855;CARBANILIC ACID, o-CHLORODITHIO-, METHYL ESTER;S-Methyl-N-(2-chlor-phenyl)-dithiocarbamat [German];S-Methyl-N-(2-chlor-phenyl)-dithiocarbamat;DTXSID10156481;AKOS000269310;LS-51001;N-(2-chlorophenyl)(methylsulfanyl)carbothioamide;Carbamodithioic acid, (2-chlorophenyl)-, methyl ester

Chemical Property of methyl N-(2-chlorophenyl)carbamodithioate

Chemical Property:

• Vapor Pressure: 0.000959mmHg at 25°C
• Boiling Point: 303°Cat760mmHg
• Flash Point: 137°C
• PSA: 76.46000
• Density: 1.393g/cm³
• LogP: 3.62030
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 216.9786693
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)NC1=CC=CC=C1Cl

Technology Process of methyl N-(2-chlorophenyl)carbamodithioate

There total 3 articles about methyl N-(2-chlorophenyl)carbamodithioate 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:

dimethyl sulfate (77-78-1) + C7H5ClNS2(1-)*Na(1+) → N-(2-chlorophenyl)-methyl dithiocarbamic acid (13037-24-6)

Guidance literature:

In water; dimethyl sulfoxide; for 5h; Cooling;

DOI:10.1002/ardp.201500115

Reference yield:

o-chloroaniline (95-51-2) → N-(2-chlorophenyl)-methyl dithiocarbamic acid (13037-24-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / dimethyl sulfoxide; water / 20 °C

2: dimethyl sulfoxide; water / 5 h / Cooling

With sodium hydroxide; In water; dimethyl sulfoxide;

DOI:10.1002/ardp.201500115

Reference yield:

→ N-(2-chlorophenyl)-methyl dithiocarbamic acid (13037-24-6)

Guidance literature:

o-Cl-Phenylamin, CS2, NEt3, MeI;

upstream raw materials:

dimethyl sulfate

o-chloroaniline

Downstream raw materials:

2-(2-Chloro-phenylamino)-6-methyl-6H-thiazolo[4,5-d]pyridazin-7-one

4-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

3‐(2‐chlorophenyl)‐2‐thioxo‐2,3‐dihydroquinazolin‐4(1H)‐one

3-(2-chlorophenyl)-2-hydrazinylquinazolin-4(3H)-one

Refernces

• 1、 Sulthana,Chitra,Alagarsamy. "Anti-HIV, Antitubercular and Antibacterial Activities of Novel 3-(Substituted Quinazolinylamino)-2-phenyl quinazolin-4(3H)ones". . p. 281 - 286. Retrieved 2020/01/08.