4-Chloro-6-Methyl-2-(Methylthio)pyriMidine-5-carbonitrile

Base Information

• Chemical Name: 4-Chloro-6-Methyl-2-(Methylthio)pyriMidine-5-carbonitrile
• CAS No.: 1208170-17-5
• Molecular Formula: C7H6ClN3S
• Molecular Weight: 199.664
• Hs Code.: 2933599590
• Mol file: 1208170-17-5.mol

Synonyms:4-Chloro-6-Methyl-2-(Methylthio)pyriMidine-5-carbonitrile

Chemical Property of 4-Chloro-6-Methyl-2-(Methylthio)pyriMidine-5-carbonitrile

Chemical Property:

• PSA: 74.87000
• LogP: 2.03198
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-6-methyl-2-(methylthio)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-Methyl-2-(Methylthio)pyriMidine-5-carbonitrile

There total 4 articles about 4-Chloro-6-Methyl-2-(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: 93.0%

2-(methylthio)-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile → 4-chloro-6-methyl-2-(methylthio)-pyrimidine-5-carbonitrile (1208170-17-5)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; at 60 ℃; for 2h;

DOI:10.1007/s00044-019-02289-6

Reference yield: 68.0%

4-amino-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile (89853-27-0) → 4-chloro-6-methyl-2-(methylthio)-pyrimidine-5-carbonitrile (1208170-17-5)

Guidance literature:

With tert.-butylnitrite; magnesium sulfate; copper dichloride; In acetonitrile; at 80 ℃; for 3h;

DOI:10.1016/j.tetlet.2019.151312

Reference yield:

(1-ethoxyethylidene)malononitrile (5417-82-3) → 4-chloro-6-methyl-2-(methylthio)-pyrimidine-5-carbonitrile (1208170-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methylate / methanol / 0 - 20 °C

2: tert.-butylnitrite; copper dichloride / acetonitrile / 3 h / 80 °C

With tert.-butylnitrite; sodium methylate; copper dichloride; In methanol; acetonitrile;

upstream raw materials:

4-amino-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile

(1-ethoxyethylidene)malononitrile

ethyl 2-cyano-3-ethoxybut-2-enoate

Downstream raw materials:

N-(4-{[5-cyano-6-methyl-2-(methylthio)-4-pyrimidinyl]amino}phenyl)-1-pyrrolidinecarboxamide

2-(cyclopropylamino)-4-(m-tolylamino)pyrido[4,3-d]pyrimidin-5(6H)-one

Refernces

• 1、 Tian, Xinrong,Suarez, Dominic P.,Li, William Hoi Hong,McSherry, Allison K.,Sanchez, Robert M.,Moore, Michael L.,Axten, Jeffrey M.. "An efficient and practical synthesis of 2,4-substituted pyrido[4,3-d]pyrimidin-5(6H)-ones". supporting information. . Retrieved 2019/11/13.
• 2、 -. "BICYCLIC INHIBITORS OF ALK". Page/Page column 83. . Retrieved 2012/08/07.