4-Chlorophenyl methyl sulfone

Base Information

• Chemical Name: 4-Chlorophenyl methyl sulfone
• CAS No.: 98-57-7
• Molecular Formula: C7H7ClO2S
• Molecular Weight: 190.65
• Hs Code.: 29309090
• European Community (EC) Number: 202-682-7
• NSC Number: 74456
• UNII: BSP7WNI0XX
• DSSTox Substance ID: DTXSID3023974
• Nikkaji Number: J38.917J
• Wikidata: Q27893076
• Metabolomics Workbench ID: 125197
• ChEMBL ID: CHEMBL1863623
• Mol file: 98-57-7.mol

Synonyms:4-chlorophenyl methyl sulfone;CPMSO2;para-chlorophenyl methyl sulfone

Chemical Property of 4-Chlorophenyl methyl sulfone

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 5.86E-10mmHg at 25°C
• Melting Point: 95-98 °C(lit.)
• Refractive Index: 1.611
• Boiling Point: 330.2 °C at 760 mmHg
• Flash Point: 153.5 °C
• PSA: 42.52000
• Density: 1.331 g/cm³
• LogP: 2.82430
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.9855283
• Heavy Atom Count: 11
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorophenyl Methyl Sulfone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-38
• Safety Statements: 26-28-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)Cl
• Uses: 4-Chlorophenyl methyl sulfone may be used in the preparation of 4-(methylsulfonyl)aniline by reacting with ammonia. It may also be used as a standard during the quantification of 4-chlorophenyl methyl sulphide by HPLC in rat liver microsomes.

Technology Process of 4-Chlorophenyl methyl sulfone

There total 51 articles about 4-Chlorophenyl methyl sulfone 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%

4-chlorophenyl methyl sulfide (123-09-1) → 4-chlorophenyl methyl sulfone (98-57-7)

Guidance literature:

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In methanol; water; at 40 ℃;

DOI:10.1039/b912521n

Reference yield: 95.0%

1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole (16851-83-5) + methyl iodide (74-88-4) → 4-chlorophenyl methyl sulfone (98-57-7)

Guidance literature:

1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole; With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In water; acetonitrile; at 20 ℃; for 16h; Inert atmosphere; Sealed tube; Irradiation;

methyl iodide; With sodium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.202102748

Reference yield: 93.0%

4-chlorophenyl methyl sulfide (123-09-1) → methyl 4-chlorophenyl sulfoxide (934-73-6) + 4-chlorophenyl methyl sulfone (98-57-7)

Guidance literature:

With sodium hypochlorite pentahydrate; In water; acetonitrile; at 20 ℃; for 0.183333h; Green chemistry;

DOI:10.1055/s-0035-1560482

upstream raw materials:

4-chlorophenyl methyl sulfide

methanesulfonyl chloride

chlorobenzene

sodium p-chlorobenzenesulphinate

Downstream raw materials:

(4-(methylsulfonyl)phenyl)(phenyl)sulfane

(4-methanesulfonylphenyl)-N,N-dimethyl-amine

p-Propoxy-phenylmethylsulfon

4-Ethoxyphenyl methyl sulphone

Refernces

• 1、 Liu, Teng,Yu, Shiwen,Shen, Xiang,Li, Yixian,Liu, Jianjun,Huang, Chao,Cheng, Feixiang. "High Chemoselectivity in the Construction of Aryl Methyl Sulfones via an Unexpected C-S Bond Formation between Sulfonylhydrazides and Dimethyl Phosphite". . p. 153 - 160. Retrieved 2021/10/04.
• 2、 -. "Method for catalytically oxidizing thioether to sulphone". Paragraph 0031-0034. . Retrieved 2021/11/19.