Benzene, [[(methylthio)phenylmethyl]sulfonyl]-

Base Information

• Chemical Name: Benzene, [[(methylthio)phenylmethyl]sulfonyl]-
• CAS No.: 102677-59-8
• Molecular Formula: C14H14O2S2
• Molecular Weight: 278.396
• DSSTox Substance ID: DTXSID30471466
• Mol file: 102677-59-8.mol

Synonyms:Benzene, [[(methylthio)phenylmethyl]sulfonyl]-;102677-59-8;DTXSID30471466

Chemical Property of Benzene, [[(methylthio)phenylmethyl]sulfonyl]-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.04352203
• Heavy Atom Count: 18
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Technology Process of Benzene, [[(methylthio)phenylmethyl]sulfonyl]-

There total 2 articles about Benzene, [[(methylthio)phenylmethyl]sulfonyl]- 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: 70.0%

Dimethyldisulphide (624-92-0) + α-benzenesulfonyl-phenylacetic acid (70683-04-4) → α-methylsulfanylbenzyl phenylsulfone (102677-59-8)

Guidance literature:

α-benzenesulfonyl-phenylacetic acid; With sodium hydride; dimethyl sulfoxide; at 20 ℃;

Dimethyldisulphide; In dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1080/10426500008042091

Reference yield:

Dimethyldisulphide (624-92-0) + Benzyl phenyl sulfone (3112-88-7) → α-methylsulfanylbenzyl phenylsulfone (102677-59-8)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMSO, r.t., 20 min, 2.) 40 min;

DOI:10.1055/s-1985-31888

Reference yield: 52.0%

α-methylsulfanylbenzyl phenylsulfone (102677-59-8) → benzaldehyde (100-52-7)

Guidance literature:

at 140 ℃; under 1 Torr;

DOI:10.1055/s-1986-31840

upstream raw materials:

Dimethyldisulphide

Benzyl phenyl sulfone

α-benzenesulfonyl-phenylacetic acid

Downstream raw materials:

2-methylthio-1-phenyl-ethanone

benzaldehyde

α-deuterio-α-methylthiobenzyl phenyl sulfone

1-phenyl-propan-1-one