1-Chloro-4-(4-methylphenyl)sulfonyl-benzene

Base Information

• Chemical Name: 1-Chloro-4-(4-methylphenyl)sulfonyl-benzene
• CAS No.: 5184-71-4
• Molecular Formula: C13H11ClO2S
• Molecular Weight: 266.748
• NSC Number: 144077
• DSSTox Substance ID: DTXSID80301542
• Nikkaji Number: J1.218.467K
• Wikidata: Q82045600
• Mol file: 5184-71-4.mol

Synonyms:5184-71-4;1-chloro-4-(4-methylphenyl)sulfonyl-benzene;1-(4-chlorophenyl)sulfonyl-4-methylbenzene;4-Methyl-4'-chlorodiphenylsulfone;4-chlorophenyl p-tolyl sulfone;NSC144077;Oprea1_192545;Oprea1_357183;SCHEMBL811061;DTXSID80301542;AKOS000521844;Diphenylsulfone, 4-chloro-4'-methyl-;NSC-144077;1-[(4-chlorophenyl)sulfonyl]-4-methylbenzene;1-Chloro-4-(4-methylbenzene-1-sulfonyl)benzene;1-Chloro-4-[(4-methylphenyl)sulfonyl]benzene #;AH-034/01375014;1-CHLORO-4-(4-METHYLBENZENESULFONYL)BENZENE

Chemical Property of 1-Chloro-4-(4-methylphenyl)sulfonyl-benzene

Chemical Property:

• Vapor Pressure: 1.36E-06mmHg at 25°C
• Boiling Point: 411.1°Cat760mmHg
• Flash Point: 202.4°C
• Density: 1.294g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 266.0168285
• Heavy Atom Count: 17
• Complexity: 331

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=CC=C(C=C2)Cl

Technology Process of 1-Chloro-4-(4-methylphenyl)sulfonyl-benzene

There total 42 articles about 1-Chloro-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: 90.0%

4-Chlorophenylboronic acid (1679-18-1) + sodium 4-methylbenzenesulfinate (824-79-3) → 4-methylphenyl-4-chlorophenyl sulfone (5184-71-4)

Guidance literature:

With 1,10-Phenanthroline; 4 A molecular sieve; oxygen; copper diacetate; In dichloromethane; dimethyl sulfoxide; at 40 ℃; for 72h; atmospheric pressure;

DOI:10.1016/j.tet.2007.05.029

Reference yield: 88.0%

chlorobenzene (108-90-7) + p-toluenesulfonyl chloride (98-59-9) → 4-methylphenyl-4-chlorophenyl sulfone (5184-71-4)

Guidance literature:

With magnesium(II) perchlorate; for 4h; Heating;

Reference yield: 88.0%

p-chlorobenzenediazonium tetrafluoroborate (673-41-6) + sodium 4-methylbenzenesulfinate (824-79-3) → 4-methylphenyl-4-chlorophenyl sulfone (5184-71-4)

Guidance literature:

With copper(l) iodide; tetra-(n-butyl)ammonium iodide; potassium carbonate; N,N`-dimethylethylenediamine; In dimethyl sulfoxide; at 100 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1039/c5ra10291j

upstream raw materials:

toluene-4-sulfonic acid

chlorobenzene

p-toluenesulfonyl chloride

ethyl ester of p-toluenesulfonic acid

Downstream raw materials:

4-tosylphenol

4-(4-chloro-benzenesulfonyl)-benzoic acid

(4-chloro-phenyl)-(4-methyl-3-nitro-phenyl)-sulfone

(4-chloro-3-nitro-phenyl)-(4-methyl-3-nitro-phenyl)-sulfone