1-Methyl-3-(4-methylbenzene-1-sulfonyl)benzene

Base Information

• Chemical Name: 1-Methyl-3-(4-methylbenzene-1-sulfonyl)benzene
• CAS No.: 53046-20-1
• Molecular Formula: C14H14O2S
• Molecular Weight: 246.33
• DSSTox Substance ID: DTXSID30503670
• Nikkaji Number: J1.218.465D
• Wikidata: Q82357662
• Mol file: 53046-20-1.mol

Synonyms:53046-20-1;1-Methyl-3-(4-methylbenzene-1-sulfonyl)benzene;SCHEMBL6151129;DTXSID30503670

Chemical Property of 1-Methyl-3-(4-methylbenzene-1-sulfonyl)benzene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.07145086
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)C

Technology Process of 1-Methyl-3-(4-methylbenzene-1-sulfonyl)benzene

There total 28 articles about 1-Methyl-3-(4-methylbenzene-1-sulfonyl)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: 100.0%

1-((1E,3E)-1-Chloro-5-methyl-hexa-1,3,5-triene-3-sulfonyl)-4-methyl-benzene → 1-methyl-3-tosylbenzene (53046-20-1)

Guidance literature:

In chloroform-d1; at 20 ℃;

DOI:10.1016/S0040-4039(01)00022-3

Reference yield: 94.0%

(3?methylphenyl)(4?methylphenyl) sulfide (107770-92-3) → 1-methyl-3-(p-tolylsulfinyl)benzene (19474-82-9,20608-63-3) + 1-methyl-3-tosylbenzene (53046-20-1)

Guidance literature:

With chlorine dioxide; In ethyl acetate; at 20 ℃; for 3h;

DOI:10.1023/A:1011348804933

Reference yield: 93.0%

3-Iodotoluene (625-95-6) + sodium 4-methylbenzenesulfinate (824-79-3) → 1-methyl-3-tosylbenzene (53046-20-1)

Guidance literature:

With 9,9-dimethyl-4,6-bis(diphenylphosphino)xanthene; tetrabutyl-ammonium chloride; caesium carbonate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In toluene; at 80 ℃; for 1h;

DOI:10.1021/jo0493469

upstream raw materials:

m-tolyl-o-tolyl sulfide

3-methylphenylsulfonyl chloride

toluene

Ethyl p-toluenesulfinate