Chloromethyl phenyl sulfoxide

Base Information

• Chemical Name: Chloromethyl phenyl sulfoxide
• CAS No.: 7205-94-9
• Molecular Formula: C7H7 Cl O S
• Molecular Weight: 174.651
• European Community (EC) Number: 230-580-2
• DSSTox Substance ID: DTXSID00875715
• Nikkaji Number: J227.442F
• Mol file: 7205-94-9.mol

Synonyms:Chloromethyl phenyl sulfoxide;7205-94-9;((Chloromethyl)sulfinyl)benzene;chloromethylsulfinylbenzene;chloromethylphenylsulfoxide;((Chloromethyl)sulphinyl)benzene;Benzene, ((chloromethyl)sulfinyl)-;EINECS 230-580-2;[(chloromethyl)sulfinyl]benzene;[(chloromethyl)sulphinyl]benzene;Benzene, [(chloromethyl)sulfinyl]-;(chloromethylsulfinyl)benzene;(Chloromethyl) phenyl sulfoxide;SCHEMBL2728309;DTXSID00875715;AKOS005216417;BS-52911;Chloromethyl phenyl sulfoxide, >=97.0%;CS-0434265;FT-0752891;E78107

Chemical Property of Chloromethyl phenyl sulfoxide

Chemical Property:

• Vapor Pressure: 0.00125mmHg at 25°C
• Melting Point: 33-35 °C
• Boiling Point: 109-111 °C0.01 mm Hg
• Flash Point: 100 °C
• PSA: 36.28000
• Density: 1.35g/cm³
• LogP: 2.85620
• Storage Temp.: −20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.9906137
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chloromethyl phenyl sulfoxide ≥97.0% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)CCl
• Uses: Chloromethyl phenyl sulfoxide has been used in the preparation of:1-chloroalkyl sulfoxidesstarting material for the synthesis alkyl sulfoxides and thiol ester acyl anion equivalent

Technology Process of Chloromethyl phenyl sulfoxide

There total 12 articles about Chloromethyl phenyl sulfoxide 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%

phenylthiomethyl chloride (7205-91-6) → chloromethyl phenyl sulfoxide (7205-94-9)

Guidance literature:

With n-C₄F₉; perfluoro-cis-2,3-dialkyloxaziridine; n-C₃F₇; In chloroform; trichlorofluoromethane; at -40 ℃; for 0.5h;

DOI:10.1021/jo00089a020

Reference yield: 93.0%

racemic methyl phenyl sulfoxide (1193-82-4) → chloromethyl phenyl sulfoxide (7205-94-9)

Guidance literature:

With N-chloro-succinimide; In dichloromethane; at 20 ℃;

Reference yield: 84.0%

methyl-phenyl-thioether (100-68-5) → chloromethyl phenyl sulfoxide (7205-94-9)

Guidance literature:

With sulfuryl dichloride; silver nitrate; In acetonitrile; at 0 - 25 ℃; for 1h;

DOI:10.1055/s-1993-25831

upstream raw materials:

diazomethane

benzenesulphinyl chloride

diethyl ether

phenylthiomethyl chloride

Downstream raw materials:

1-(Phenylsulfinylchlormethyl)-cyclohexanol

[(1-chloro-4-penten-1-yl)sulfinyl]benzene

1-Benzenesulfinyl-1-chloro-2-methyl-3-(tetrahydro-pyran-2-yloxy)-propan-2-ol

1-cyclodecanol

Refernces

• 1、 Li, Chifeng,Mizuno, Noritaka,Murata, Kei,Ishii, Kazuyuki,Suenobu, Tomoyoshi,Yamaguchi, Kazuya,Suzuki, Kosuke. "Selectivity switch in the aerobic oxygenation of sulfides photocatalysed by visible-light-responsive decavanadate". supporting information. p. 3896 - 3905. Retrieved 2020/07/09.
• 2、 Bulman Page, Philip C.,Buckley, Benjamin R.,Elliott, Claire,Chan, Yohan,Dreyfus, Nicolas,Marken, Frank. "Chemoselective Oxidation of Sulfides to Sulfoxides with Urea-Hydrogen Peroxide Complex Catalysed by Diselenide". supporting information. p. 80 - 82. Retrieved 2015/12/26.