Methyl dimethyldithiocarbamate

Base Information

• Chemical Name: Methyl dimethyldithiocarbamate
• CAS No.: 3735-92-0
• Molecular Formula: C4H9 N S2
• Molecular Weight: 135.254
• Hs Code.: 2930909090
• European Community (EC) Number: 223-105-5
• NSC Number: 40176
• UNII: BKH76WPU8C
• DSSTox Substance ID: DTXSID40190797
• Nikkaji Number: J8.233C
• Wikipedia: Methyl_dimethyldithiocarbamate
• Wikidata: Q55075175
• ChEMBL ID: CHEMBL504894
• Mol file: 3735-92-0.mol

Synonyms:Methyl dimethyldithiocarbamate;Cystogon;Forbiat;3735-92-0;methyl N,N-dimethylcarbamodithioate;Methyl N,N-dimethyldithiocarbamate;Carbamodithioic acid, dimethyl-, methyl ester;Methyl dimethylcarbamodithioate;Dimethyldithiocarbamic acid methyl ester;Carbamodithioic acid,N,N-dimethyl-, methyl ester;CARBAMIC ACID, DIMETHYLDITHIO-, METHYL ESTER;N,N-dimethyl(methylsulfanyl)carbothioamide;EINECS 223-105-5;NSC 40176;BKH76WPU8C;BRN 1742923;AI3-03285;NSC-40176;UNII-BKH76WPU8C;C4H9NS2;SCHEMBL220119;WLN: SUYS1&N1&1;CHEMBL504894;DTXSID40190797;NSC40176;N,N-Dimethyl-S-methyldithiocarbamate;AKOS006240950;Dimethyl-dithiocarbamic acid methyl ester;AS-67643;LS-49534;NCI60_003772;D93298;EN300-182825;Q55075175;CARBAMODITHIOIC ACID, N,N-DIMETHYL-, METHYL ESTER

Chemical Property of Methyl dimethyldithiocarbamate

Chemical Property:

• Vapor Pressure: 1.86mmHg at 25°C
• Melting Point: 43～47℃
• Boiling Point: 165.6°Cat760mmHg
• PKA: 0.81±0.50(Predicted)
• Flash Point: 53.9°C
• PSA: 60.63000
• Density: 1.119g/cm³
• LogP: 1.19590
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.01764164
• Heavy Atom Count: 7
• Complexity: 70.1

Purity/Quality:

99% ^*data from raw suppliers

METHYLDIMETHYLDITHIOCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)SC
• Uses: Methyl Dimethyldithiocarbam?ate is a chemical reagent, used in the synthesis of novel Jak/Stat pathway inhibitors.

Technology Process of Methyl dimethyldithiocarbamate

There total 22 articles about Methyl 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: 100.0%

carbon disulfide (75-15-0,12122-00-8) + dimethyl amine (124-40-3) + methyl iodide (74-88-4) → N,N,S-trimethyldithiocarbamate (3735-92-0)

Guidance literature:

carbon disulfide; dimethyl amine; With sodium hydroxide; In tetrahydrofuran; water; at 0 - 18 ℃; for 2.5h;

methyl iodide; In tetrahydrofuran; water; at 0 - 18 ℃;

Reference yield: 100.0%

N,N-dimethyldithiocarbamic acid (79-45-8) + methyl iodide (74-88-4) → N,N,S-trimethyldithiocarbamate (3735-92-0)

Guidance literature:

In tetrahydrofuran; water; at 0 - 25 ℃;

DOI:10.1021/jm1011319

Reference yield: 95.0%

1N-methyl-2,4,6-triphenylpyridinium tetrafluoroborate (2355-56-8) + sodium dimethyldithiocarbamate (128-04-1) → N,N,S-trimethyldithiocarbamate (3735-92-0)

Guidance literature:

With 2,4,6-triphenylpyridine; at 160 ℃; for 0.5h; under 1 Torr;

upstream raw materials:

dimethyl sulfate

carbon disulfide

N,N,S-trimethyl-N'-phenyl-isothiourea

1N-methyl-2,4,6-triphenylpyridinium tetrafluoroborate

Downstream raw materials:

S-methyl dimethylthiocarbamate

bis-(dimethylamino)methane

trimethylamine

sodium thiomethoxide

Refernces

• 1、 Katsyuba, S. A.,Avvakumova, L. V.,Pudovik, D. A.,Shakirov, I. Kh.,Shagidullin, R. R.. "Vibrational spectra and force constants of S-methyl-N,N-dimethyldithiocarbamate". . p. 1068 - 1071. Retrieved 1995.
• 2、 -. "4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER". Page/Page column 68. . Retrieved 2010/11/27.
• 3、 Mohanta, Pramod K.,Dhar, Sanchita,Samal,Ila,Junjappa. "1-(Methyldithiocarbonyl)imidazole: A useful thiocarbonyl transfer reagent for synthesis of substituted thioureas". . p. 629 - 637. Retrieved 2007/10/03.