1-Ethyl-4-[(4-methylphenyl)sulfonyl]benzene

Base Information

• Chemical Name: 1-Ethyl-4-[(4-methylphenyl)sulfonyl]benzene
• CAS No.: 5184-66-7
• Molecular Formula: C15H16 O2 S
• Molecular Weight: 260.357
• NSC Number: 140001
• DSSTox Substance ID: DTXSID20300918
• Nikkaji Number: J3.327.290A
• Wikidata: Q82044347
• Mol file: 5184-66-7.mol

Synonyms:5184-66-7;1-ethyl-4-[(4-methylphenyl)sulfonyl]benzene;NSC140001;SCHEMBL178280;DTXSID20300918;NSC-140001

Chemical Property of 1-Ethyl-4-[(4-methylphenyl)sulfonyl]benzene

Chemical Property:

• Vapor Pressure: 1.84E-06mmHg at 25°C
• Boiling Point: 406.9°Cat760mmHg
• Flash Point: 236.4°C
• Density: 1.147g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 260.08710092
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

Technology Process of 1-Ethyl-4-[(4-methylphenyl)sulfonyl]benzene

There total 3 articles about 1-Ethyl-4-[(4-methylphenyl)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: 89.0%

tris(4-ethylphenyl)bismuthane + sodium 4-methylbenzenesulfinate (824-79-3) → p-ethylphenyl p-tolyl sulfone (5184-66-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In toluene; at 80 ℃; for 15h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.organomet.1c00339

Reference yield: 85.0%

ethylbenzene (100-41-4,27536-89-6) + p-toluenesulfonyl chloride (98-59-9) → p-ethylphenyl p-tolyl sulfone (5184-66-7)

Guidance literature:

With peroxodisulfate ion; zirconium(IV) oxide; at 150 ℃; for 1h;

Reference yield: 82.0%

4-ethylphenylboronic acid (63139-21-9) + toluene-4-sulfonic acid hydrazide (1576-35-8) → p-ethylphenyl p-tolyl sulfone (5184-66-7)

Guidance literature:

With copper(II) acetate monohydrate; In ethanol; at 20 ℃; for 6h;

DOI:10.1055/s-0033-1341023

upstream raw materials:

ethylbenzene

p-toluenesulfonyl chloride

4-ethylphenylboronic acid

toluene-4-sulfonic acid hydrazide

Downstream raw materials:

bis(4-carboxyphenyl)sulfone

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