1027513-81-0

Basic information

• Product Name: 1-Bromo-2-(2,2,2-trifluoroethyl)-benzene
• Synonyms: 1-Bromo-2-(2,2,2-trifluoroethyl)-benzene
• CAS NO: 1027513-81-0
• Molecular Formula: C₈H₆BrF₃
• Molecular Weight: 239.0324496
• Mol File: 1027513-81-0.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-Bromo-2-(2,2,2-trifluoroethyl)-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Bromo-2-(2,2,2-trifluoroethyl)-benzene(1027513-81-0)
• EPA Substance Registry System: 1-Bromo-2-(2,2,2-trifluoroethyl)-benzene(1027513-81-0)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 1027513-81-0(Hazardous Substances Data)

Usage

Physical state

Colorless liquid at room temperature

Uses

Building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds

Properties

Strong bromine and fluorine substituents

Versatility

Versatile precursor in organic synthesis

Intermediate

Used as an intermediate in the production of specialty chemicals

Applications

Pharmaceutical, electronics, and agrochemical industries

Additional uses

Production of high-performance polymers and other materials

Safety

Toxic and harmful if ingested or inhaled

Handling and storage

Requires careful handling and storage to prevent exposure and harm

Upstream product

• 1221349-89-8 thiocarbonic acid O-[1-(2-bromo-phenyl)-2,2,2-trifluoro-ethyl] ester O-phenyl ester 
• 18698-97-0 ortho-bromophenylacetic acid 
• 887144-94-7 Togni's reagent II 
• 394203-55-5 1-(2-bromophenyl)-2,2,2-trifluoroethanol 
• 6630-33-7 ortho-bromobenzaldehyde 
• 18982-54-2 o-bromobenzyl alcohol 
• 129946-88-9 Umemoto's reagent 
• 1079402-23-5 imidazole-1-carbothioic acid O-[1-(2-bromophenyl)-2,2,2-trifluoroethyl]-ester 

Relevant articles and documents

Deoxofluorination of Aliphatic Carboxylic Acids: A Route to Trifluoromethyl-Substituted Derivatives

A practical method for the synthesis of functionalized aliphatic trifluoromethyl-substituted derivatives from aliphatic acids is developed. The transformation proceeds with sulfur tetrafluoride in the presence of water as a key additive. Compared to previous methods, the reaction gives products with full retention of stereo- and absolute configuration of chiral centers.

Copper-mediated deoxygenative trifluoromethylation of benzylic xanthates: Generation of a C-CF3 bond from an O-based electrophile

The conversion of an alcohol-based functional group, into a trifluoromethyl analogue is a desirable transformation. However, few methods are capable of converting O-based electrophiles into trifluoromethanes. The copper-mediated trifluoromethylation of benzylic xanthates using Umemoto's reagent as the source of CF3 to form C-CF3 bonds is described. The method is compatible with an array of benzylic xanthates bearing useful functional groups. A preliminary mechanistic investigation suggests that the C-CF3 bond forms by reaction of the substrate with in situ generated CuCF3 and CuOTf. Further evidence suggests that the reaction could proceed via a radical cation intermediate. Highly compatible and useful: The copper-mediated trifluoromethylation of benzylic xanthates using Umemoto's reagent as the source of CF3 to form C-CF3 bonds is described (see scheme). The method is compatible with an array of benzylic xanthates bearing useful functional groups. A preliminary mechanistic investigation suggests that the C-CF3 bond forms by reaction of the substrate with in situ generated CuCF3 and CuOTf. Copyright

PYRIDINE DERIVATIVES

The present invention relates to compounds of the formula (I): (I) and pharmaceutically acceptable salts and solvates thereof, to processes for the preparation of, intermediates used in the preparation of, and compositions containing such compounds and the uses of such compounds for the treatment of pain.