Chloromethyl methyl sulfoxide

Base Information

• Chemical Name: Chloromethyl methyl sulfoxide
• CAS No.: 21128-88-1
• Molecular Formula: C2H5ClOS
• Molecular Weight: 112.58
• DSSTox Substance ID: DTXSID80276428
• Nikkaji Number: J2.472.945A
• Mol file: 21128-88-1.mol

Synonyms:chloromethyl methyl sulfoxide;Methane, chloro(methylsulfinyl)-;21128-88-1;SCHEMBL515059;DTXSID80276428;LNJGSZBRBFBOKK-UHFFFAOYSA-N;AKOS006308979

Chemical Property of Chloromethyl methyl sulfoxide

Chemical Property:

• PSA: 36.28000
• LogP: 1.42690
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.9749636
• Heavy Atom Count: 5
• Complexity: 44.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)CCl

Technology Process of Chloromethyl methyl sulfoxide

There total 1 articles about Chloromethyl methyl 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:

dimethylsulfoxide-d6 (2206-27-1) + 2-tert-butyl-3,3-dimethyl-butyryl chloride (29571-65-1) + dimethyl sulfoxide (67-68-5,8070-53-9) → chloro-methylsulfanyl-methane (2373-51-5) + chloromethyl methyl sulfoxide (21128-88-1) + 2-tert-Butyl-3,3-dimethylbutanoic acid (41785-81-3) + [(2)H5]chloromethyl methyl sulfide (189765-65-9) + C10H19(2)HO2 (1262155-71-4)

Guidance literature:

With hydrogenchloride; In diethylene glycol dimethyl ether; water; at 55 ℃; for 6.5h; Mechanism;

DOI:10.1002/ejoc.201100936

Reference yield: 87.3%

chloromethyl methyl sulfoxide (21128-88-1) + thiophenol (108-98-5) → methyl phenylthiomethyl sulfoxide (39213-31-5)

Guidance literature:

With potassium hydroxide; In water;

Reference yield: 83.0%

chloromethyl methyl sulfoxide (21128-88-1) + 3-(o-chlorophenyl)-5-mercapto-4H-1,2,4-triazole (58755-00-3) → 3-(2-chloro-phenyl)-5-methanesulfinylmethylsulfanyl-4H-[1,2,4]triazole (193485-99-3)

Guidance literature:

3-(o-chlorophenyl)-5-mercapto-4H-1,2,4-triazole; With sodium hydroxide; In ethanol; at 20 ℃; for 0.25h;

chloromethyl methyl sulfoxide; In ethanol; for 5h; Heating;

upstream raw materials:

dimethylsulfoxide-d6

2-tert-butyl-3,3-dimethyl-butyryl chloride

dimethyl sulfoxide

Downstream raw materials:

1-(Methylsulfinylchlormethyl)-cyclohexanol

2-(4-Chloro-phenyl)-5-methanesulfinylmethylsulfanyl-[1,3,4]thiadiazole

2-(2-Chloro-phenyl)-5-methanesulfinylmethylsulfanyl-[1,3,4]thiadiazole

[(1E)-2-(methylsulfinyl)ethenyl]benzene