87750-51-4

Basic information

• Product Name: 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE
• Synonyms: 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULPHONE;4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE;METHYL 4-(TRIFLUOROMETHOXY)PHENYL SULFONE;METHYL 4-(TRIFLUOROMETHOXY)PHENYL SULPHONE;1-Methanesulphonyl-4-(trifluoromethoxy)benzene~1-Methylsulphonyl-4-(trifluoromethoxy)benzene;1-Methanesulfonyl-4-(trifluoromethoxy)benzene;1-Methylsulfonyl-4-(trifluoromethoxy)benzene;Methyl 4-(trifluoromethoxy)phenyl sulfone, 98+%
• CAS NO: 87750-51-4
• Molecular Formula: C8H7F3O3S
• Molecular Weight: 240.2
• Product Categories: blocks;BuildingBlocks
• Mol File: 87750-51-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 64-65°C
• Boiling Point: 294°C at 760 mmHg
• Flash Point: 131.6°C
• Appearance: /
• Density: 1.399g/cm³
• Vapor Pressure: 0.00292mmHg at 25°C
• Refractive Index: 1.459
• Storage Temp.: 2-8°C
• BRN: 7924039
• CAS DataBase Reference: 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE(87750-51-4)
• EPA Substance Registry System: 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE(87750-51-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 87750-51-4(Hazardous Substances Data)

Usage

General Description

4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE is a chemical compound with the molecular formula C8H7F3O3S. It is a sulfone derivative that contains a phenyl group substituted with a trifluoromethoxy and a methyl sulfonyl group. 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE has potential applications in pharmaceutical and agrochemical industries, as well as in material science and organic synthesis. It is a white solid, with a high melting point and low solubility in water, and is often used as a reagent in chemical reactions. Additionally, it has been studied for its potential biological activities, such as its anti-inflammatory and anti-cancer properties.

InChI:InChI=1/C8H7F3O3S/c1-15(12,13)7-4-2-6(3-5-7)14-8(9,10)11/h2-5H,1H3

Upstream product

• 407-14-7 1-bromo-4-(trifluoromethoxy)benzene 
• 74-88-4 methyl iodide 
• 2546-45-4 methyl(4-(trifluoromethoxy)phenyl)sulfane 
• 5470-49-5 4-methanesulfonylphenylamine 
• 2070902-77-9 trifluoromethyl 4-fluorobenzene-1-sulfonate 
• 62696-04-2 TBHP 
• 685542-10-3 4-trifluoromethoxyphenylsulfonyl hydrazide 
• 1006904-72-8 silver(I) trifluoromethoxide 

Relevant articles and documents

Mechanochemical synthesis of aromatic sulfonamides

A three-component Pd-catalysed aminosulfonylation reaction of K2S2O5 and amine with aryl bromides or aromatic carboxylic acids was developed. This strategy was developed to utilise mechanical energy and accommodate primary as well as secondary aliphatic and aromatic amines to provide a new shortcut to a wide range of sulfonamides. Studies on the scope and limitations of the reaction indicated its tolerance of a vast range of functional groups and many structural patterns. The reactions were scaled up to gram quantities.

Electrochemical oxidations of thioethers: Modulation of oxidation potential using a hydrogen bonding network

A highly efficient chemo-selective electrochemical oxidation of thioethers to sulfoxides and sulfones was developed. The hydrogen bonding network generated from hexafluoro-2-propanol (HFIP) and acetic acid (AcOH) plays an important role in the modulation of oxidation potential. The hydrogen bonding network complexes strongly with the sulfoxide, making it less prone to further oxidation. Therefore, thioethers can be selectively electrochemically oxidized to sulfoxides and over-oxidization could be minimized. Moreover, this modulation of oxidization via hydrogen bonding was supported by density functional theory (DFT) calculations and cyclic voltammetry experiments.

Copper-catalyzed: S -methylation of sulfonyl hydrazides with TBHP for the synthesis of methyl sulfones in water

A copper-catalyzed S-methylation of sulfonyl hydrazides with TBHP was efficiently developed, providing a variety of methyl sulfones with good to excellent yields. The reaction can be carried out in water smoothly without any ligand or additive under mild conditions and this catalyst-in-water can be recycled several times.