1-Methanesulfonyl-4-methylsulfanyl-benzene

Base Information

• Chemical Name: 1-Methanesulfonyl-4-methylsulfanyl-benzene
• CAS No.: 52323-93-0
• Molecular Formula: C8H10O2S2
• Molecular Weight: 202.298
• DSSTox Substance ID: DTXSID10402874
• Nikkaji Number: J1.850.070A
• Mol file: 52323-93-0.mol

Synonyms:1-Methanesulfonyl-4-methylsulfanyl-benzene;52323-93-0;SCHEMBL2991047;DTXSID10402874;WQSQZIZWXMYQGN-UHFFFAOYSA-N;Methyl 4-(methylthio)phenyl sulfone;1-METHANESULFONYL-4-(METHYLSULFANYL)BENZENE

Chemical Property of 1-Methanesulfonyl-4-methylsulfanyl-benzene

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.01222190
• Heavy Atom Count: 12
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)S(=O)(=O)C

Technology Process of 1-Methanesulfonyl-4-methylsulfanyl-benzene

There total 17 articles about 1-Methanesulfonyl-4-methylsulfanyl-benzene 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: 99.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) + 4-(methylsulfonyl)benzonitrile (22821-76-7) → 1-methanesulfonyl-4-methylsulfanyl-benzene (52323-93-0)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,2-bis-(dicyclohexylphosphino)ethane; In o-xylene; at 140 ℃; for 24h; Glovebox; Inert atmosphere;

DOI:10.1021/jacs.1c00529

Reference yield: 97.0%

4-bromoohenyl methyl sulfone (3466-32-8) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) → 1-methanesulfonyl-4-methylsulfanyl-benzene (52323-93-0)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 2h;

DOI:10.1039/c8ob01758a

Reference yield: 94.0%

(4-bromophenyl)thioanisole (104-95-0) + sodium methansulfinate (20277-69-4) → 1-methanesulfonyl-4-methylsulfanyl-benzene (52323-93-0)

Guidance literature:

With potassium phosphate; copper(l) iodide; (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide; In dimethyl sulfoxide; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.8b00888

upstream raw materials:

4-(methylsulfonyl)benzenethiol

dimethyl sulfate

methyl iodide

4-iodothioanisole

Downstream raw materials:

2-(4-Methanesulfonyl-benzenesulfonyl)-1-phenyl-ethanone

4-(methylsulfonyl)benzonitrile

4-(methylsulfonyl)-N-phenylaniline

1,4-bis(methanesulfonyl)benzene