1,4-Dimethyl-2-methylsulfonylbenzene

Base Information

• Chemical Name: 1,4-Dimethyl-2-methylsulfonylbenzene
• CAS No.: 6462-29-9
• Molecular Formula: C9H12O2S
• Molecular Weight: 184.259
• DSSTox Substance ID: DTXSID20374417
• Nikkaji Number: J1.434.912J
• Wikidata: Q82163001
• Mol file: 6462-29-9.mol

Synonyms:2,5-Dimethylphenylmethylsulfone;6462-29-9;1,4-dimethyl-2-methylsulfonylbenzene;1,4-dimethyl-2-(methylsulfonyl)- Benzene;1,4-dimethyl-2-(methylsulfonyl)benzene;2-methanesulfonyl-1,4-dimethylbenzene;2,5-dimethylphenyl methyl sulfone;SCHEMBL801935;DTXSID20374417;WDIWSBKKOOKBJR-UHFFFAOYSA-N;Methyl 2,5-dimethylphenyl sulfone;AKOS006228325;FS-1595

Chemical Property of 1,4-Dimethyl-2-methylsulfonylbenzene

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.05580079
• Heavy Atom Count: 12
• Complexity: 238

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,4-Dimethyl-2-methylsulfonylbenzene

There total 8 articles about 1,4-Dimethyl-2-methylsulfonylbenzene 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: 96.0%

2,5-dimethylthioanisole (66623-67-4) → (2,5-Dimethylphenyl) methyl sulfone (6462-29-9)

Guidance literature:

With tert.-butylhydroperoxide; lanthanum(III) oxide; In water; ethyl acetate; at 150 ℃; for 4h;

DOI:10.1039/c4ra14391d

Reference yield: 91.0%

para-xylene (106-42-3) + methanesulfonyl chloride (124-63-0) → (2,5-Dimethylphenyl) methyl sulfone (6462-29-9)

Guidance literature:

With trifluorormethanesulfonic acid; bismuth(III) chloride; at 120 ℃; for 72h;

DOI:10.1002/ejoc.200400369

Reference yield: 91.0%

methyl fluorosulfonate (558-25-8) + para-xylene (106-42-3) → (2,5-Dimethylphenyl) methyl sulfone (6462-29-9)

Guidance literature:

With aluminium trichloride; for 1h; Ambient temperature;

DOI:10.1055/s-1984-30774

upstream raw materials:

methyl fluorosulfonate

para-xylene

methanesulfonyl chloride

2,5-dimethylbenzenesulfonyl chloride

Downstream raw materials:

1-diazo-1-(2,5-dimethylphenylsulfonyl)-5-hexen-2-one

(1R,5R)-1-(2,5-dimethylphenylsulfonyl)bicyclo[3.1.0]hexan-2-one

1-(2,5-dimethylphenylsulfonyl)-5-hexen-2-one

Refernces

• 1、 Mandal, Mrinmay,Chakraborty, Debashis. "Kinetic investigation on the highly efficient and selective oxidation of sulfides to sulfoxides and sulfones with t-BuOOH catalyzed by La2O3". . p. 12111 - 12122. Retrieved 2015/02/19.
• 2、 Hajipour, Abdol R.,Zarei, Amin,Khazdooz, Leila,Pourmousavi, Seied A.,Mirjalili, Bi Bi F.,Ruoho. "Direct sulfonylation of aromatic rings with aryl or alkyl sulfonic acid using supported P2O5/Al2O3". . p. 2029 - 2034. Retrieved 2007/10/03.