Benzene, 1,1'-sulfonylbis[2,4-dimethyl-

Base Information

• Chemical Name: Benzene, 1,1'-sulfonylbis[2,4-dimethyl-
• CAS No.: 5184-75-8
• Molecular Formula: C16H18 O2 S
• Molecular Weight: 274.384
• Hs Code.: 2904100000
• European Community (EC) Number: 225-966-2
• UNII: 411FO94Q9L
• DSSTox Substance ID: DTXSID5063732
• Nikkaji Number: J297.929B
• Wikidata: Q27258372
• Mol file: 5184-75-8.mol

Synonyms:DI-2,4-XYLYL SULFONE;2,4-Dixylylsulfone;5184-75-8;Di-2,4-xylyl sulphone;Benzene, 1,1'-sulfonylbis[2,4-dimethyl-;Benzene, 1,1'-sulfonylbis(2,4-dimethyl-;UNII-411FO94Q9L;Bis(2,4-dimethylphenyl) sulfone;411FO94Q9L;EINECS 225-966-2;2,2',4,4'-Tetramethyldiphenylsulphone;1-(2,4-dimethylphenyl)sulfonyl-2,4-dimethylbenzene;2.4-Dimethyl-phenylsulfon;2,4-XYLYL SULFONE;SCHEMBL2236507;DTXSID5063732;2,4,2',4'-TETRAMETHYLDIPHENYL SULFONE;Q27258372;1-[(2,4-Dimethylphenyl)sulfonyl]-2,4-dimethylbenzene #;1-(2,4-DIMETHYLBENZENESULFONYL)-2,4-DIMETHYLBENZENE

Chemical Property of Benzene, 1,1'-sulfonylbis[2,4-dimethyl-

Chemical Property:

• Vapor Pressure: 4.15E-07mmHg at 25°C
• Melting Point: 121 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
• Boiling Point: 427.2°Cat760mmHg
• Flash Point: 250.5°C
• PSA: 42.52000
• Density: 1.129g/cm³
• LogP: 4.83380
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.10275099
• Heavy Atom Count: 19
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1,1'-sulfonylbis[2,4-dimethyl-

There total 11 articles about Benzene, 1,1'-sulfonylbis[2,4-dimethyl- 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: 92.0%

m-xylene (108-38-3,104809-90-7) → 4,4'-sulfonylbis(1,3-dimethylbenzene) (5184-75-8)

Guidance literature:

With dipotassium peroxodisulfate; trifluorormethanesulfonic acid; tetra(n-butyl)ammonium hydrogensulfate; trifluoroacetic anhydride; In 1,2-dichloro-ethane; at 40 ℃; for 15h; Sealed tube;

DOI:10.1039/c4cc05964f

Reference yield: 4.0%

carbon monoxide (201230-82-2) + m-xylene (108-38-3,104809-90-7) → 4,4'-sulfonylbis(1,3-dimethylbenzene) (5184-75-8) + 2,4-dimethylbenzenesulfonyl fluoride (445-15-8) + 2,4-dimethylbenzaldehyde (15764-16-6) + 5-formyl-2,4-dimethylbenzenesulfonyl fluoride (128203-58-7)

Guidance literature:

With antimony pentafluoride; fluorosulphonic acid; at 0 ℃; for 1h; under 760 Torr;

DOI:10.1021/jo00035a024

Reference yield: 2.0%

para-xylene (106-42-3) → 4,4'-sulfonylbis(1,3-dimethylbenzene) (5184-75-8) + 2,2'-sulfonylbis(1,4-dimethylbenzene) (6632-44-6) + 2,5-dimethylbenzenesulfonyl fluoride (393-41-9) + 2,4-dimethylphenyl 2',5'-dimethylphenyl sulfone (141223-24-7)

Guidance literature:

With antimony pentafluoride; fluorosulphonic acid; at 25 ℃; for 1h; Yield given. Yields of byproduct given;

DOI:10.1021/jo00039a046

upstream raw materials:

2,4-dimethylbenzenesulfonic acid

m-xylene

4-hydroxy-benzene-1,3-disulfonic acid

2,5-dichlorobenzenesulfonic acid