4-Chloro-5-methyl-2-(methylsulfonyl)pyrimidine

Base Information

• Chemical Name: 4-Chloro-5-methyl-2-(methylsulfonyl)pyrimidine
• CAS No.: 325780-94-7
• Molecular Formula: C6H7ClN2O2S
• Molecular Weight: 206.65
• DSSTox Substance ID: DTXSID70460879
• Nikkaji Number: J1.309.685F
• Wikidata: Q72454334
• Mol file: 325780-94-7.mol

Synonyms:4-Chloro-5-methyl-2-(methylsulfonyl)pyrimidine;325780-94-7;4-chloro-5-methyl-2-methylsulfonylpyrimidine;4-Chloro-2-methanesulfonyl-5-methylpyrimidine;SCHEMBL22489959;DTXSID70460879;MFCD14584423;AKOS015998714;AS-76794;CS-0143985;FT-0739672;A875578

Chemical Property of 4-Chloro-5-methyl-2-(methylsulfonyl)pyrimidine

Chemical Property:

• Boiling Point: 380.18 °C at 760 mmHg
• Flash Point: 183.727 °C
• PSA: 68.30000
• Density: 1.417 g/cm³
• LogP: 1.92270
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 205.9916763
• Heavy Atom Count: 12
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-methanesulfonyl-5-methylpyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N=C1Cl)S(=O)(=O)C

Technology Process of 4-Chloro-5-methyl-2-(methylsulfonyl)pyrimidine

There total 2 articles about 4-Chloro-5-methyl-2-(methylsulfonyl)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:

4-chloro-5-methyl-2-(methylsulfanyl)pyrimidine (61044-96-0) → 4-chloro-5-methyl-2-(methylsulfonyl)pyrimidine (325780-94-7)

Guidance literature:

With meta-chloroperoxybenzoic acid;

Reference yield:

4-chloro-5-methyl-2-(methylsulfanyl)pyrimidine (61044-96-0) + 3-chloro-benzenecarboperoxoic acid (937-14-4) → 4-chloro-5-methyl-2-(methylsulfonyl)pyrimidine (325780-94-7)

Guidance literature:

Reference yield: 73.0%

N-(3-(difluoromethyl)-2-fluoro-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)formamide + 4-chloro-5-methyl-2-(methylsulfonyl)pyrimidine (325780-94-7) → 4-chloro-N-(3-(difluoromethyl)-2-fluoro-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-5-methylpyrimidin-2-amine

Guidance literature:

N-(3-(difluoromethyl)-2-fluoro-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)formamide; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.166667h; Inert atmosphere;

4-chloro-5-methyl-2-(methylsulfonyl)pyrimidine; In tetrahydrofuran; at 40 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b00076

upstream raw materials:

4-chloro-5-methyl-2-(methylsulfanyl)pyrimidine

3-chloro-benzenecarboperoxoic acid

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