4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine

Base Information

Chemical Name:4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine
CAS No.:112969-42-3
Molecular Formula:C₇H₆ClN₃S
Molecular Weight:199.664
Hs Code.:2933599090
DSSTox Substance ID:DTXSID70370904
Wikidata:Q82158080
Mol file:112969-42-3.mol

Synonyms:112969-42-3;4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine;4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile;4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile;5-Pyrimidinecarbonitrile,4-chloro-2-methyl-6-(methylthio)-;SCHEMBL15955611;DTXSID70370904;4-chloro-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile;4-Chloro-2-methyl-6-(methylthio)-pyrimidine-5-carbonitrile;AKOS015912081;SB56068;CS-0376790;FT-0692446

Suppliers and Price of 4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
4-Chloro-2-methyl-6-(methylthio)-pyrimidine-5-carbonitrile 97%
1g
$ 221.00

Crysdot
4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile 97%
5g
$ 460.00

Atlantic Research Chemicals
4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile 95%
1gm:
$ 215.61

American Custom Chemicals Corporation
4-CHLORO-5-CYANO-2-METHYL-6-(METHYLTHIO)PYRIMIDINE 95.00%
1G
$ 720.37

AK Scientific
4-Chloro-2-methyl-6-(methylthio)-pyrimidine-5-carbonitrile
1g
$ 348.00

Total 5 raw suppliers

Chemical Property of 4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine

Chemical Property:

Vapor Pressure:0.00011mmHg at 25°C
Melting Point:105-107
Boiling Point:336.7°Cat760mmHg
PKA:-3.84±0.39(Predicted)
Flash Point:157.5°C
PSA：74.87000
Density:1.39g/cm³
LogP:2.03198
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:198.9970961
Heavy Atom Count:12
Complexity:202

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-methyl-6-(methylthio)-pyrimidine-5-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=C(C(=N1)Cl)C#N)SC

Technology Process of 4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine

There total 5 articles about 4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine 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: 80.0%

: 15908-63-1
3,4-dihydro-2-methyl-6-methylmercapto-4-oxopyrimidine-5-carbonitrile

: 112969-42-3
4-chloro-2-methyl-6-methylmercaptopyrimidine-5-carbonitrile

Guidance literature:: With N,N-diethylaniline; trichlorophosphate; for 3h; Heating;

Reference yield:

: 3490-92-4
methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate

: 112969-42-3
4-chloro-2-methyl-6-methylmercaptopyrimidine-5-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 1.7 percent / NaH / dimethylformamide / 4 h / Ambient temperature

2: phosphorus oxychloride

With sodium hydride; trichlorophosphate; In N,N-dimethyl-formamide;
DOI:10.1021/jm00399a023

Reference yield:

: 17823-58-4
ethyl 2-cyano-3,3-di(methylsulfanyl)acrylate

: 112969-42-3
4-chloro-2-methyl-6-methylmercaptopyrimidine-5-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 2 g / triethylamine / ethanol / 5 h / Heating

2: 80 percent / phosphoryl chloride, diethylaniline / 3 h / Heating

With triethylamine; N,N-diethylaniline; trichlorophosphate; In ethanol;