3-Methyl-4-methylsulfinylphenol

Base Information

• Chemical Name: 3-Methyl-4-methylsulfinylphenol
• CAS No.: 14143-28-3
• Molecular Formula: C8H10 O2 S
• Molecular Weight: 170.232
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50931097
• Nikkaji Number: J1.357.766H
• Mol file: 14143-28-3.mol

Synonyms:3-Methyl-4-methylsulfinylphenol;3-methyl-4-(methylsulfinyl)phenol;14143-28-3;Phenol, 3-methyl-4-(methylsulfinyl)-;BRN 2045142;Phenol,3-methyl-4-(methylsulfinyl)-;starbld0024494;SCHEMBL11131788;DTXSID50931097;4-(Methanesulfinyl)-3-methylphenol;AKOS006271950;4-METHANESULFINYL-3-METHYLPHENOL;LS-104883

Chemical Property of 3-Methyl-4-methylsulfinylphenol

Chemical Property:

• Vapor Pressure: 9.41E-06mmHg at 25°C
• Boiling Point: 362.2°Cat760mmHg
• Flash Point: 172.9°C
• PSA: 56.51000
• Density: 1.3g/cm³
• LogP: 2.30370
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

3-METHYL-4-(METHYLSULFINYL)-PHENOL 95.00% ^*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)C

Technology Process of 3-Methyl-4-methylsulfinylphenol

There total 5 articles about 3-Methyl-4-methylsulfinylphenol 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: 88.0%

4-(methylthio)-m-cresol (3120-74-9) → 3-methyl-4-(methylsulfinyl)phenol (14143-28-3)

Guidance literature:

With perfluoro cis-2-n-butyl-3-n-propyloxaziridine; In various solvent(s); at 0 ℃; for 0.166667h;

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

Reference yield:

fenthion (55-38-9) → 4-(methylthio)-m-cresol (3120-74-9) + 3-methyl-4-(methylsulfinyl)phenol (14143-28-3) + (+)-Fenthion sulfoxide (3761-41-9) + O,O-dimethyl S-[3-methyl-4-(methylthio)phenyl]phosphorothioate

Guidance literature:

With air; water; UV-irradiation;

DOI:10.1021/jf049539x

Reference yield:

(+)-Fenthion sulfoxide (3761-41-9) → 3-methyl-4-(methylsulfinyl)phenol (14143-28-3)

Guidance literature:

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

DOI:10.1021/jf9907539

upstream raw materials:

4-(methylthio)-m-cresol

(+)-Fenthion sulfoxide

fenthion

Downstream raw materials:

(1-methylethyl)phosphoramidic acid ethyl 3-methyl-4(methylsulfinyl)phenyl ester

4-hydroxy-2-methyl(methylsulfonyl)benzene

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

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

Refernces

• 1、 Torrisi, Stefano,Sortino, Salvatore. "New insights into the photoreactivity of the organophosphorus pesticide fenthion: A σ aryl cation as a key intermediate in the photodecomposition". . p. 5943 - 5949. Retrieved 2004.
• 2、 Terreni, Marco,Pregnolato, Massimo,Resnati, Giuseppe,Benfenati, Emilio. "Selective Sulfur Oxygenation in Phosphoroamidate, Thionophosphate, and Thiophosphate Agrochemicals by Perfluoro-cis-2,3-dialkyloxaziridine". . p. 7981 - 7992. Retrieved 2007/10/02.