Carbamodithioic acid, dimethyl-, 4-methylphenyl ester

Base Information

• Chemical Name: Carbamodithioic acid, dimethyl-, 4-methylphenyl ester
• CAS No.: 16913-62-5
• Molecular Formula: C10H13NS2
• Molecular Weight: 211.352
• DSSTox Substance ID: DTXSID20473136
• Nikkaji Number: J1.406.694B
• Wikidata: Q82302319
• Mol file: 16913-62-5.mol

Synonyms:16913-62-5;dimethylamino-methanedithioic acid p-tolyl ester;Carbamodithioic acid, dimethyl-, 4-methylphenyl ester;DTXSID20473136;4-methylphenyl dimethyldithiocarbamate

Chemical Property of Carbamodithioic acid, dimethyl-, 4-methylphenyl ester

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.04894177
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Carbamodithioic acid, dimethyl-, 4-methylphenyl ester

There total 17 articles about Carbamodithioic acid, dimethyl-, 4-methylphenyl 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: 92.0%

Thiram (137-26-8,93196-73-7) + 4-tolyl iodide (624-31-7) → dimethyl dithiocarbamic acid 4-methylphenyl ester (16913-62-5)

Guidance literature:

With potassium carbonate; copper dichloride; zinc; In dimethyl sulfoxide; at 110 ℃; for 18h; Sealed tube;

DOI:10.1055/s-0036-1589166

Reference yield: 91.0%

4-methylphenylboronic acid (5720-05-8) + sodium dimethyldithiocarbamate (128-04-1) → dimethyl dithiocarbamic acid 4-methylphenyl ester (16913-62-5)

Guidance literature:

With 1,10-Phenanthroline; copper(I) bromide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1002/ejoc.201801271

Reference yield: 90.0%

Thiram (137-26-8,93196-73-7) + 4-methylphenylboronic acid (5720-05-8) → dimethyl dithiocarbamic acid 4-methylphenyl ester (16913-62-5)

Guidance literature:

With pyridine; copper(I) oxide; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1002/ejoc.201701757

upstream raw materials:

p-toluidine

N,N-Dimethyl-toluol-4-sulfonyl-thioformamid

N,N-Dimethylthiocarbamoyl chloride

para-methylphenylmagnesium bromide

Downstream raw materials:

N,N-Dimethyl-(p-tolylmercapto)-formamidchloridbase

1-methyl-4-(2-hydroxylphenyl)thiobenzene

di-(p-tolyl)sulfane

1-chlorophenyl-2-(4-methylphenyl)thiobenzene

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