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

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

Uses

Used in Pharmaceutical Industry:
4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds due to its unique structural features and reactivity.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE serves as a building block in the development of new agrochemicals, potentially enhancing crop protection and yield.
Used in Material Science:
4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE is utilized as a component in the creation of advanced materials, leveraging its chemical properties to improve material performance.
Used in Organic Synthesis:
As a reagent in organic synthesis, 4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE is employed to facilitate specific chemical transformations, contributing to the synthesis of complex organic molecules.
Used in Research for Biological Activities:
4-(TRIFLUOROMETHOXY)PHENYL METHYL SULFONE is studied for its potential anti-inflammatory and anti-cancer properties, indicating its use in the development of new therapeutic agents.

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 
• 1006904-72-8 silver(I) trifluoromethoxide 
• 5470-49-5 4-methanesulfonylphenylamine 
• 2070902-77-9 trifluoromethyl 4-fluorobenzene-1-sulfonate 
• 62696-04-2 TBHP 
• 685542-10-3 4-trifluoromethoxyphenylsulfonyl hydrazide 

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.

Silver-Mediated Trifluoromethoxylation of (Hetero)aryldiazonium Tetrafluoroborates

Here we report a silver-mediated trifluoromethoxylation of (hetero)aryldiazonium tetrafluoroborates by converting an aromatic amino group into an OCF3 group. This method, which can be considered to be a trifluoromethoxylation variation of the classic Sandmeyer-type reaction, uses readily available aryl and heteroaromatic amines as starting materials and AgOCF3 as trifluoromethoxylating reagents. The broad substrate scope and simple, mild reaction condition made this transformation a valuable method in constructing aryl-OCF3 bonds.

Visible-Light Photoredox-Catalyzed and Copper-Promoted Trifluoromethoxylation of Arenediazonium Tetrafluoroborates

We report the development of photoredox-catalyzed and copper-promoted trifluoromethoxylation of arenediazonium tetrafluoroborates, with trifluoromethyl arylsulfonate (TFMS) as the trifluoromethoxylation reagent. This new method takes advantage of visible-light photoredox catalysis to generate the aryl radical under mild conditions, combined with copper-promoted selective trifluoromethoxylation. The reaction is scalable, tolerates a wide range of functional groups, and proceeds regioselectively under mild reaction conditions. Furthermore, mechanistic studies suggested that a Cs[Cu(OCF3)2] intermediate might be generated during the reaction.

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.