Benzyl dimethyldithiocarbamate

Base Information

• Chemical Name: Benzyl dimethyldithiocarbamate
• CAS No.: 7250-18-2
• Molecular Formula: C10H13 N S2
• Molecular Weight: 211.352
• European Community (EC) Number: 230-659-1
• NSC Number: 24913
• UNII: 24J8NV9CQQ
• DSSTox Substance ID: DTXSID80222809
• Nikkaji Number: J212.261H
• Wikidata: Q83101146
• ChEMBL ID: CHEMBL1970672
• Mol file: 7250-18-2.mol

Synonyms:7250-18-2;Benzyl dimethyldithiocarbamate;Benzyl-N,N-dimethyldithiocarbamate;benzyl N,N-dimethylcarbamodithioate;BENZYL N,N-DIMETHYLDITHIOCARBAMATE;24J8NV9CQQ;EINECS 230-659-1;NSC-24913;N,N-dimethyl(benzylsulfanyl)carbothioamide;Carbamodithioic acid, N,N-dimethyl-, phenylmethyl ester;benzyl dimethylcarbamodithioate;NSC24913;UNII-24J8NV9CQQ;SCHEMBL1158069;CHEMBL1970672;DTXSID80222809;NSC 24913;AKOS015889537;Dimethyldithiocarbamic acid benzyl ester;Benzyl-N,N-dimethyldithiocarbamate, 98%;NCI60_001988;N,N-DIMETHYL-S-BENZYLDITHIOCARBAMATE;FT-0636404;PHENYLMETHYL N,N-DIMETHYLCARBAMODITHIOATE;CARBAMIC ACID, DIMETHYLDITHIO-, BENZYL ESTER;Carbamodithioic acid, dimethyl-, phenylmethyl ester;5-amino-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic?acid

Chemical Property of Benzyl dimethyldithiocarbamate

Chemical Property:

• Vapor Pressure: 0.00115mmHg at 25°C
• Melting Point: 39-41 °C(lit.)
• Boiling Point: 300°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 60.63000
• Density: 1.164g/cm³
• LogP: 2.76630
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 211.04894177
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C(=S)SCC1=CC=CC=C1

Technology Process of Benzyl dimethyldithiocarbamate

There total 17 articles about Benzyl dimethyldithiocarbamate 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: 99.0%

N-benzyl-2,4,6-triphenylpyridinium tetrafluoroborate (66310-10-9) + sodium dimethyldithiocarbamate (128-04-1) → benzyl dimethyldithiocarbamate (7250-18-2)

Guidance literature:

In ethanol; for 1h; Heating;

Reference yield: 94.0%

carbon disulfide (75-15-0,12122-00-8) + dimethyl amine (124-40-3) + benzyl alcohol (100-51-6,185532-71-2) → benzyl dimethyldithiocarbamate (7250-18-2)

Guidance literature:

With iodine; In neat (no solvent); at 0 - 80 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2020.152382

Reference yield: 92.0%

Ziram + benzyl alcohol (100-51-6,185532-71-2) → benzyl dimethyldithiocarbamate (7250-18-2)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In toluene; Ambient temperature;

DOI:10.1016/S0040-4039(00)84938-2

upstream raw materials:

benzyl chloride

benzyl alcohol

sodium dimethyldithiocarbamate

carbon oxide sulfide

Downstream raw materials:

N,N-Dimethyl-2-mercapto-2-phenylthioacetamid

N,N-dimethyldithiocarbamate(chloro)palladium(II)

4-(benzylsulfanyl-methyl)-1-methoxy-2-nitro-benzene

1-phenethyl dimethylcarbamodithioate

Refernces

• 1、 Dutta, Soumya,Saha, Amit. "Iodine mediated direct coupling of benzylic alcohols with dithiocarbamate anions: An easy access of S-benzyl dithiocarbamate esters under neat reaction condition". . . Retrieved 2020/09/10.
• 2、 Wu, Zhiyong,Lai, Miao,Zhang, Siyuan,Zhong, Xianyun,Song, Hao,Zhao, Mingqin. "An Efficient Synthesis of Benzyl Dithiocarbamates by Base-Promoted Cross-Coupling Reactions of Benzyl Chlorides with Tetraalkylthiuram Disulfides at Room Temperature". supporting information. p. 7033 - 7036. Retrieved 2019/01/04.