3-Chlorophenyl Methyl Sulfone

Base Information

• Chemical Name: 3-Chlorophenyl Methyl Sulfone
• CAS No.: 21383-00-6
• Molecular Formula: C7H7ClO2S
• Molecular Weight: 190.65
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID101296374
• Nikkaji Number: J2.495.417J
• Mol file: 21383-00-6.mol

Synonyms:3-Chlorophenyl Methyl Sulfone;21383-00-6;1-chloro-3-methylsulfonylbenzene;C7H7ClO2S;Benzene, 1-chloro-3-(methylsulfonyl)-;MFCD00474659;1-chloro-3-(methylsulfonyl)benzene;m-chlorophenyl methyl sulfone;3-Chlorophenyl(methyl) sulfone;SCHEMBL5020874;1-chloro-3-methanesulfonylbenzene;DTXSID101296374;WAA38300;AC1312;AKOS006237417;CS-11807;SY030765;FT-0766308;(3-chlorophenyl)(methyl)dioxo-lambda~6~-sulfane

Chemical Property of 3-Chlorophenyl Methyl Sulfone

Chemical Property:

• Melting Point: 108-109°C
• PSA: 42.52000
• LogP: 2.82430
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.9855283
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

98.5% ^*data from raw suppliers

3-ChlorophenylMethylSulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=CC=C1)Cl

Technology Process of 3-Chlorophenyl Methyl Sulfone

There total 17 articles about 3-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: 95.0%

1-chloro-3-methylsulfanylbenzene (4867-37-2) → 3-chlorophenyl methyl sulfone (21383-00-6)

Guidance literature:

With oxygen; at 100 ℃; for 20h; chemoselective reaction; Schlenk technique;

DOI:10.1021/acs.orglett.9b03192

Reference yield: 82.0%

3-chlorobenzenesulfonyl hydrazide (53516-97-5) + Dimethyl phosphite (868-85-9) → 3-chlorophenyl methyl sulfone (21383-00-6)

Guidance literature:

With sodium iodide; In 1,2-dimethoxyethane; water; at 65 ℃;

DOI:10.1055/a-1581-2271

Reference yield: 80.0%

3-iodochlorobenzene (625-99-0) + sodium methansulfinate (20277-69-4) → 3-chlorophenyl methyl sulfone (21383-00-6)

Guidance literature:

With copper(I) trifluoromethanesulfonate benzene complex; N,N`-dimethylethylenediamine; In dimethyl sulfoxide; at 110 ℃; for 20h; Inert atmosphere;

DOI:10.1039/c9cc00550a

upstream raw materials:

3-chlorophenyl methyl sulfoxide

adamantylidene-adamantane

Perbenzoic acid

methyl iodide

Downstream raw materials:

sodium 3-chlorobenzenesulfinate

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、 Li, Jin-Heng,Li, Yang,Sun, Qing,Xue, Qi,Zhang, Ting-Ting. "Electrochemical oxygenation of sulfides with molecular oxygen or water: Switchable preparation of sulfoxides and sulfones". supporting information. p. 10314 - 10318. Retrieved 2021/12/17.