4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine

Base Information

• Chemical Name: 4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine
• CAS No.: 55329-22-1
• Molecular Formula: C6H7ClN2O2S
• Molecular Weight: 206.653
• Hs Code.: 2933599090
• European Community (EC) Number: 871-883-5
• DSSTox Substance ID: DTXSID00496308
• Nikkaji Number: J2.016.087J
• Wikidata: Q72454332
• Mol file: 55329-22-1.mol

Synonyms:4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine;55329-22-1;4-chloro-6-methyl-2-methylsulfonylpyrimidine;4-CHLORO-2-METHANESULFONYL-6-METHYLPYRIMIDINE;SCHEMBL6296316;DTXSID00496308;OLOLDTJCNAOMQJ-UHFFFAOYSA-N;MFCD11109839;AKOS015892573;DS-10642;CS-0342950;FT-0759883;C75595;4-Chloro-2-(methanesulfonyl)-6-methylpyrimidine;EN300-1589281;Z1269199403

Chemical Property of 4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 244-245 °C
• Boiling Point: 384.488oC at 760 mmHg
• PKA: -4.05±0.30(Predicted)
• Flash Point: 186.332oC
• PSA: 68.30000
• Density: 1.417g/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-6-methyl-2-(methylsulfonyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)S(=O)(=O)C)Cl

Technology Process of 4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine

There total 4 articles about 4-Chloro-6-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: 83.0%

4-chloro-6-methyl-2-methylthiopyrimidine (17119-73-2) → 4-chloro-6-methyl-2-(methylsulfonyl)pyrimidine (55329-22-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at -5 - 20 ℃;

DOI:10.1021/jm061319i

Reference yield:

6-methyl-2-thiouracil (56-04-2) → 4-chloro-6-methyl-2-(methylsulfonyl)pyrimidine (55329-22-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / potassium carbonate / dimethylsulfoxide / 24 h / 20 °C

2: 91 percent / POCl₃ / 5 h / 80 °C

3: 83 percent / 3-chloroperoxybenzoic acid / CH₂Cl₂ / -5 - 20 °C

With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; trichlorophosphate; In dichloromethane; dimethyl sulfoxide;

DOI:10.1021/jm061319i

Reference yield:

4-Hydroxy-6-methyl-2-methylthiopyrimidine (6328-58-1) → 4-chloro-6-methyl-2-(methylsulfonyl)pyrimidine (55329-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / POCl₃ / 5 h / 80 °C

2: 83 percent / 3-chloroperoxybenzoic acid / CH₂Cl₂ / -5 - 20 °C

With 3-chloro-benzenecarboperoxoic acid; trichlorophosphate; In dichloromethane;

DOI:10.1021/jm061319i

upstream raw materials:

4-chloro-6-methyl-2-methylthiopyrimidine

6-methyl-2-thiouracil

4-Hydroxy-6-methyl-2-methylthiopyrimidine

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