Benzene, 1-chloro-2-(methylsulfinyl)-

Base Information

• Chemical Name: Benzene, 1-chloro-2-(methylsulfinyl)-
• CAS No.: 7321-57-5
• Molecular Formula: C₇H₇ClOS
• Molecular Weight: 174.651
• DSSTox Substance ID: DTXSID20381247
• Nikkaji Number: J380.989G
• Mol file: 7321-57-5.mol

Synonyms:7321-57-5;1-chloro-2-(methylsulphinyl)benzene;1-chloro-2-methylsulfinylbenzene;Benzene, 1-chloro-2-(methylsulfinyl)-;1-chloro-2-methanesulfinylbenzene;1-chloro-2-(methylsulfinyl)benzene;2-Chlorophenylmethylsulfoxide;SCHEMBL514293;Methyl(2-chlorophenyl) sulfoxide;DTXSID20381247;CS-0379067

Chemical Property of Benzene, 1-chloro-2-(methylsulfinyl)-

Chemical Property:

• Boiling Point: 120 °C
• PSA: 36.28000
• LogP: 2.94310
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.9906137
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

95% ^*data from raw suppliers

2-Chlorophenylmethylsulfoxide 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)C1=CC=CC=C1Cl

Technology Process of Benzene, 1-chloro-2-(methylsulfinyl)-

There total 18 articles about Benzene, 1-chloro-2-(methylsulfinyl)- 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%

2-chlorothioanisole (17733-22-1) → 2-chlorophenyl methyl sulfoxide (139696-88-1,141195-18-8,7321-57-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 1h;

Reference yield: 99.0%

2-chlorothioanisole (17733-22-1) → (R)-(+)-o-chlorophenyl methyl sulfoxide (7321-57-5,139696-88-1,141195-18-8)

Guidance literature:

With C₈₈H₉₀N₂O₆P₂; dihydrogen peroxide; magnesium sulfate; In cyclohexane; water; at 20 ℃; for 2h; optical yield given as %ee; enantioselective reaction;

DOI:10.1021/ja3035637

Reference yield: 99.0%

(R)-(2-chlorophenyl)(imino)(methyl)-λ6-sulfanone → (R)-(+)-o-chlorophenyl methyl sulfoxide (7321-57-5,139696-88-1,141195-18-8)

Guidance literature:

With tert.-butylnitrite; In chloroform; at 20 ℃; for 2h; enantioselective reaction;

DOI:10.1021/jacs.1c03111

upstream raw materials:

N-chloro-4-methylbenzenesulfonamide

2-chlorothioanisole

1,2-dichloro-benzene

2-chlorophenyl methyl sulfoxide

Downstream raw materials:

3-phenylcyclopentanone

methyl n-octylsulfoxide

(R)-(+)-o-chlorophenyl methyl sulfoxide

(R)-(+)-2-chlorophenyl methyl sulfoxide

Refernces

• 1、 Lang, Xianjun,Li, Hui,Li, Xia,Sheng, Wenlong,Zhou, Jun. "Extending aromatic acids on TiO2 for cooperative photocatalysis with triethylamine: Violet light-induced selective aerobic oxidation of sulfides". supporting information. . Retrieved 2022/01/11.
• 2、 Fan, Qiangwen,Zhu, Longwei,Li, Xuhuai,Ren, Huijun,Wu, Guorong,Zhu, Haibo,Sun, Wuji. "Catalyst-free visible light-mediated selective oxidation of sulfides into sulfoxides under clean conditions". supporting information. p. 7945 - 7949. Retrieved 2021/11/01.