3-Methyl-4-methylsulfonylphenol

Base Information

• Chemical Name: 3-Methyl-4-methylsulfonylphenol
• CAS No.: 14270-40-7
• Molecular Formula: C8H10 O3 S
• Molecular Weight: 186.232
• European Community (EC) Number: 870-414-1
• DSSTox Substance ID: DTXSID00162132
• Nikkaji Number: J660.995C
• Wikidata: Q83030691
• Mol file: 14270-40-7.mol

Synonyms:3-Methyl-4-methylsulfonylphenol;14270-40-7;3-methyl-4-(methylsulfonyl)phenol;Phenol, 3-methyl-4-(methylsulfonyl)-;BRN 2048161;4-methanesulfonyl-3-methylphenol;4-methylsulfonyl-3-methylphenol;starbld0029102;4-(methylsulfonyl)-m-cresol;SCHEMBL1577057;DTXSID00162132;4-hydroxy-2-methyl-(methylsulfonyl)benzene;LS-104884;EN300-6729907;Z1278926303

Chemical Property of 3-Methyl-4-methylsulfonylphenol

Chemical Property:

• Vapor Pressure: 1.1E-06mmHg at 25°C
• Boiling Point: 391.4°Cat760mmHg
• Flash Point: 190.5°C
• PSA: 62.75000
• Density: 1.276g/cm³
• LogP: 2.18490
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 240

Purity/Quality:

3-Methyl-4-methylsulfonylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)S(=O)(=O)C

Technology Process of 3-Methyl-4-methylsulfonylphenol

There total 6 articles about 3-Methyl-4-methylsulfonylphenol 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: 92.0%

4-(methylthio)-m-cresol (3120-74-9) → 4-hydroxy-2-methyl(methylsulfonyl)benzene (14270-40-7)

Guidance literature:

With chromium(VI) oxide; periodic acid; In ethyl acetate; acetonitrile; at -35 ℃; for 1.75h;

DOI:10.1021/jo030031n

Reference yield: 80.0%

3-methyl-4-(methylsulfinyl)phenol (14143-28-3) → 4-hydroxy-2-methyl(methylsulfonyl)benzene (14270-40-7)

Guidance literature:

With perfluoro cis-2-n-butyl-3-n-propyloxaziridine; In various solvent(s); at 0 ℃; for 0.5h;

DOI:10.1016/0040-4020(95)00413-3

Reference yield:

fenthion oxon sulfone (14086-35-2) → 4-hydroxy-2-methyl(methylsulfonyl)benzene (14270-40-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 50 - 60 ℃; for 8h;

DOI:10.1021/jf9907539

upstream raw materials:

4-(methylthio)-m-cresol

3-Methyl-4-methylthio-phenylacetat

3-methyl-4-(methylsulfinyl)phenol

fenthion oxon sulfone

Downstream raw materials:

Thiophosphoric acid O-ethyl ester O'-(4-methanesulfonyl-3-methyl-phenyl) ester O''-(2-methoxy-1-methyl-ethyl) ester

Thiophosphoric acid O-(1-chloromethyl-2-methoxy-ethyl) ester O'-(4-methanesulfonyl-3-methyl-phenyl) ester O''-methyl ester

Thiophosphoric acid O-(3-ethoxy-propyl) ester O'-ethyl ester O''-(4-methanesulfonyl-3-methyl-phenyl) ester

Thiophosphoric acid O-(2-ethoxy-1-methoxymethyl-ethyl) ester O'-ethyl ester O''-(4-methanesulfonyl-3-methyl-phenyl) ester