Difluoromethylsulfinylbenzene

Base Information

• Chemical Name: Difluoromethylsulfinylbenzene
• CAS No.: 24933-64-0
• Molecular Formula: C7H6F2OS
• Molecular Weight: 176.187
• European Community (EC) Number: 892-216-4
• Nikkaji Number: J2.465.215G
• Mol file: 24933-64-0.mol

Synonyms:difluoromethylsulfinylbenzene;24933-64-0;((difluoromethyl)sulfinyl)benzene;Benzene, [(difluoromethyl)sulfinyl]-;SCHEMBL776881;YBHMZIHCSWLJMX-UHFFFAOYSA-N

Chemical Property of Difluoromethylsulfinylbenzene

Chemical Property:

• Boiling Point: 258.9±35.0 °C(Predicted)
• PSA: 36.28000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 2.88250
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.01074231
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)C(F)F

Technology Process of Difluoromethylsulfinylbenzene

There total 7 articles about Difluoromethylsulfinylbenzene 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: 88.0%

difluoromethyl phenyl sulfide (1535-67-7) → 1-(difluoromethylsulfinyl)benzene (24933-64-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.jfluchem.2007.05.003

Reference yield: 44.0%

sodium difluoromethanesulfinate (275818-95-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-(difluoromethylsulfinyl)benzene (24933-64-0)

Guidance literature:

sodium difluoromethanesulfinate; With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; Inert atmosphere;

benzene; With trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 19h;

DOI:10.1016/j.jfluchem.2009.12.019

Reference yield: 43.0%

ethyl 2,2-difluoro-2-(phenylsulfinyl)acetate (290371-51-6) → 1-(difluoromethylsulfinyl)benzene (24933-64-0)

Guidance literature:

With water; lithium chloride; In dimethyl sulfoxide; at 110 ℃; for 24h;

DOI:10.1016/j.tet.2019.04.037

upstream raw materials:

difluoromethyl phenyl sulfide

methyl-phenyl-thioether

phenyl (trimethylsilyl)difluoromethyl sulfide

thiophenol

Downstream raw materials:

2,2-difluoro-1,1-diphenyl-2-(phenylsulfinyl)ethanol