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

Base Information

• Chemical Name: 4-Chloro-6-methoxy-2-(methylsulfonyl)pyrimidine
• CAS No.: 89466-55-7
• Molecular Formula: C6H7 Cl N2 O3 S
• Molecular Weight: 222.652
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID60547800
• Wikidata: Q72455255
• Mol file: 89466-55-7.mol

Synonyms:4-Chloro-6-methoxy-2-(methylsulfonyl)pyrimidine;89466-55-7;4-Chloro-2-methanesulfonyl-6-methoxy-pyrimidine;4-chloro-6-methoxy-2-methylsulfonylpyrimidine;4-Chloro-2-(methanesulfonyl)-6-methoxypyrimidine;SCHEMBL8666206;DTXSID60547800;DMNJKRNLPLOTAG-UHFFFAOYSA-N;MFCD10574963;AKOS015940747;AM101518;DS-14142;CS-0045870;4-Chloro-2-methanesulfonyl-6-methoxypyrimidine;4-chloro-6-methoxy-2-methylsulphonylpyrimidine;C77017;4-chloro-6-methoxy-2-(methyl sulfonyl)pyrimidine;J-514955

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

Chemical Property:

• Melting Point: 90-91ºC
• Boiling Point: 405.1±48.0 °C(Predicted)
• PKA: -6.47±0.30(Predicted)
• PSA: 77.53000
• Density: 1.449
• LogP: 1.62290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 221.9865910
• Heavy Atom Count: 13
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-6-methoxy-2-(methylsulfonyl)pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)S(=O)(=O)C)Cl

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

There total 4 articles about 4-Chloro-6-methoxy-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: 78.0%

4-chloro-6-methoxy-2-(methylsulfanyl)pyrimidine (89466-42-2) → 4-chloro-6-methoxy-2-(methylsulfonyl)pyrimidine (89466-55-7)

Guidance literature:

With potassium peroxymonosulfate sulfate; tetrabutylammomium bromide; In water; acetone; at 20 ℃;

DOI:10.1080/00397911.2017.1421664

Reference yield:

4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) → 4-chloro-6-methoxy-2-(methylsulfonyl)pyrimidine (89466-55-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium / 20 °C

2: tetrabutylammomium bromide; potassium peroxymonosulfate sulfate / acetone; water / 20 °C

With potassium peroxymonosulfate sulfate; tetrabutylammomium bromide; sodium; In water; acetone;

DOI:10.1080/00397911.2017.1421664

Reference yield:

4,6-dihydroxy-2-methylmercaptopyrimidine (1979-98-2) → 4-chloro-6-methoxy-2-(methylsulfonyl)pyrimidine (89466-55-7)

Guidance literature:

Multi-step reaction with 3 steps

1: trichlorophosphate; triethylamine / 3 h / Reflux

2: sodium / 20 °C

3: tetrabutylammomium bromide; potassium peroxymonosulfate sulfate / acetone; water / 20 °C

With potassium peroxymonosulfate sulfate; tetrabutylammomium bromide; sodium; triethylamine; trichlorophosphate; In water; acetone;

DOI:10.1080/00397911.2017.1421664

upstream raw materials:

4-chloro-6-methoxy-2-(methylsulfanyl)pyrimidine

4,6-Dichloro-2-(methylthio)pyrimidine

4,6-dihydroxy-2-methylmercaptopyrimidine

Downstream raw materials:

(4-chloro-6-methoxy-pyrimidin-2-yl)-(3-methoxy-4-oxazol-5-yl-phenyl)-amine

N-(2-Difluoromethoxy-6-methylphenyl)-1-(4-chloro-6-methoxypyrimidin-2-yl)-1H-1,2,4-triazole-3-sulphonamide

4-chloro-6-methoxy-2-phenylaminopyrimidine