426-58-4

Basic information

• Product Name: Phenyl (trifluoromethyl) sulfone
• Synonyms: (Trifluoromethyl) phenyl sulfone;Phenyl (trifluoromethyl) sulfone;Trifluoromethyl phenyl sulfone;(TrifluoroMethane)sulfonylbenzene;[(Trifluoromethyl)sulphonyl]benzene;Phenyl trifluoromethyl sulphone;((Trifluoromethyl)sulfonyl)benzene
• CAS NO: 426-58-4
• Molecular Formula: C₇H₅F₃O₂S
• Molecular Weight: 210.17
• Mol File: 426-58-4.mol
• Article Data: 34

Chemical Properties

• Boiling Point: 203°C(lit.)
• Appearance: /
• Density: 1.423±0.06 g/cm3(Predicted)
• Refractive Index: 1.4620 to 1.4660
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• CAS DataBase Reference: Phenyl (trifluoromethyl) sulfone(CAS DataBase Reference)
• NIST Chemistry Reference: Phenyl (trifluoromethyl) sulfone(426-58-4)
• EPA Substance Registry System: Phenyl (trifluoromethyl) sulfone(426-58-4)

Safety Data

• Hazardous Substances Data: 426-58-4(Hazardous Substances Data)

Usage

General Description

Phenyl (trifluoromethyl) sulfone, also known as trifluoromethyl phenyl sulfone or PhCF3SO2, is a chemical compound with the molecular formula C6H5SO2CF3. It is a sulfone derivative with a trifluoromethyl group attached to a phenyl ring. Phenyl (trifluoromethyl) sulfone is frequently used as a reagent in organic synthesis and can also be utilized as a precursor in the preparation of pharmaceuticals and agrochemicals. Phenyl (trifluoromethyl) sulfone is known for its high thermal stability and resistance to chemical reactions, making it valuable for a variety of applications in the chemical and pharmaceutical industries. Additionally, it has potential use as a prototype for developing new fluorinated compounds with unique properties.

Upstream product

• 456-56-4 phenyl trifluoromethylsulfide 
• 358-23-6 trifluoromethylsulfonic anhydride 
• 71-43-2 benzene 
• 368-43-4 phenylsulfonyl fluoride 
• 754-25-6 trimethyl(trifluoromethyl)tin 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 84796-66-7 C₇H₅F₃N₂O₂S 
• 703-18-4 phenyl trifluoromethyl sulfoxide 
• 2314-97-8 iodotrifluoromethane 
• 618-41-7 Benzenesulfinic acid 
• 1193-82-4 racemic methyl phenyl sulfoxide 
• 80-18-2 Methyl benzenesulfonate 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 98-09-9 benzenesulfonyl chloride 

Downstream Products

• 153867-09-5 2,2-Dimethyl-5-phenyl-4,5-dihydro-[1,3]dioxepine 
• 599-70-2 ethyl phenyl sulfone 
• 6947-57-5 cyclohexyl phenyl sulfone 
• 3112-85-4 methylphenylsulfonate 
• 4238-09-9 phenyl isopropyl sulfone 
• 34009-05-7 (octane-1-sulfonyl)-benzene 
• 127-63-9 diphenyl sulphone 
• 384-37-2 1-nitro-2-(trifluoromethylsulfonyl)benzene 
• 1548-72-7 1-nitro-3-(trifluoromethylsulfonyl)benzene 
• 379-18-0 1,1-diphenyl-2,2,2-trifluoroethanol 
• 131252-25-0 1-(4'-ethylphenyl)-2,2,2-trifluoroethanol 
• 456-56-4 phenyl trifluoromethylsulfide 
• 630-71-7 4,4'-dichloro-α-phenyl-α-(trifluoromethyl)benzenemethanol 
• 851449-41-7 3-(trifluoromethylsulfonyl)benzene-1-sulfonyl chloride 

Relevant articles and documents

Three-Component Difunctionalization of Cyclohexenyl Triflates: Direct Access to Versatile Cyclohexenes via Cyclohexynes

Difunctionalization of strained cyclic alkynes presents a powerful strategy to build richly functionalized cyclic alkenes in an expedient fashion. Herein we disclose an efficient and flexible approach to achieve carbohalogenation, dicarbofunctionalization, aminohalogenation and aminocarbonation of readily available cyclohexenyl triflates. We have demonstrated the novel use of zincate base/nucleophile system for effective formation of key cyclohexyne intermediates and selective addition of various carbon and nitrogen nucleophiles. Importantly, leveraging the resulting organozincates enables the incorporation of a broad range of electrophilic partners to deliver structurally diverse cyclohexene motifs. The importance and utility of this method is also exemplified by the modularity of this approach and the ease in which even highly complex polycyclic scaffolds can be accessed in one step.

COMPOSITES, METHODS AND USES THEREOF

The present invention relates, in general terms, to methods of catalysing a reaction, including the steps of contacting a chemical entity comprising a sulphide moiety with a composite and an oxidant. The composite acts as a heterogeneous catalyst to oxidise the sulphide moiety. The present invention also relates to composites, methods of synthesising the composites and its use as a catalyst thereof.

One pot synthesis of trifluoromethyl aryl sulfoxides by trifluoromethylthiolation of arenes and subsequent oxidation with hydrogen peroxide

Hydrogen peroxide was used for oxidation of various aryl trifluoromethyl sulfides. Trifluoroacetic acid was used as an activating solvent that enables non-catalyzed oxidation and increases selectivity for sulfoxide formation. As shown by oxidation of thianthrene TFA enhances electrophilic character of the oxidant and further oxidation of sulfoxide group is blocked. We have joined trifluoromethylthiolation of arenes using a modified Billard reagent (p-ClPhNHSCF3) with oxidation of aryl trifluoromethyl sulfides using 1.2 equiv. of 30% aqueous hydrogen peroxide and this one-pot process has superior yields than would have been obtained in a two step process.