4-CHLORO-6-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE

Base Information

• Chemical Name: 4-CHLORO-6-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE
• CAS No.: 150807-96-8
• Molecular Formula: C6H4 Cl N3 S
• Molecular Weight: 185.63
• Hs Code.: 2933599090
• Mol file: 150807-96-8.mol

Synonyms:4-CHLORO-6-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE

Chemical Property of 4-CHLORO-6-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE

Chemical Property:

• PSA: 74.87000
• LogP: 1.72358
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4-chloro-6-(methylsulfanyl)pyrimidine-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CHLORO-6-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE

There total 3 articles about 4-CHLORO-6-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE 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: 54.0%

3,4-dihydro-6-methymercapto-4-oxopyrimidine-5-carbonitrile (16071-28-6) → 4-chloro-6-methylmercaptopyrimidine-5-carbonitrile (150807-96-8)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; for 3h; Heating;

Reference yield:

methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate (3490-92-4) → 4-chloro-6-methylmercaptopyrimidine-5-carbonitrile (150807-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / ethanol / 5 h / Heating

2: POCl₃ / 7 h / Heating

With triethylamine; trichlorophosphate; In ethanol;

DOI:10.1021/jm0503594

Reference yield:

ethyl 2-cyano-3,3-di(methylsulfanyl)acrylate (17823-58-4) → 4-chloro-6-methylmercaptopyrimidine-5-carbonitrile (150807-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 100 °C

2: POCl₃ / Heating

With trichlorophosphate; In ethanol; 1: Condensation / 2: Chlorination;

DOI:10.1016/S0960-894X(00)00091-3

upstream raw materials:

3,4-dihydro-6-methymercapto-4-oxopyrimidine-5-carbonitrile

methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate

ethyl 2-cyano-3,3-di(methylsulfanyl)acrylate

Downstream raw materials:

3-(5-cyano-6-(methylthio)pyrimidin-4-ylamino)-N-methoxy-4-methylbenzoic acid

3-(5-cyano-6-(methylthio)pyrimidin-4-ylamino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide

3-(5-cyano-6-(methylthio)pyrimidin-4-ylamino)-N-(isoxazol-3-yl)-4-methylbenzamide

3-(5-cyano-6-(methylsulfonyl)pyrimidin-4-ylamino)-N-methoxy-4-methylbenzamide

Refernces

• 1、 Agarwal, Nidhi,Raghuwanshi, Sandeep K.,Upadhyay,Shukla,Ram, Vishnu J.. "Suitably functionalised pyrimidines as potential antimycotic agents". . p. 703 - 706. Retrieved 2007/10/03.