50562-01-1

Basic information

• Product Name: 1-methyl-4-(2,2,2-trifluoroethyl)benzene
• CAS NO: 50562-01-1
• Molecular Formula: C₉H₉F₃
• Molecular Weight: 174.163
• Mol File: 50562-01-1.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 150.3°C at 760 mmHg
• Flash Point: 37.4°C
• Density: 1.124g/cm³
• Vapor Pressure: 4.93mmHg at 25°C
• Refractive Index: 1.443
• CAS DataBase Reference: 1-methyl-4-(2,2,2-trifluoroethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-4-(2,2,2-trifluoroethyl)benzene(50562-01-1)
• EPA Substance Registry System: 1-methyl-4-(2,2,2-trifluoroethyl)benzene(50562-01-1)

Safety Data

• Hazardous Substances Data: 50562-01-1(Hazardous Substances Data)

Usage

General Description

1-methyl-4-(2,2,2-trifluoroethyl)benzene is a chemical compound that consists of a benzene ring with a methyl group and a 2,2,2-trifluoroethyl group attached to it. It is commonly used as a solvent in various chemical reactions and processes. The presence of the trifluoroethyl group makes it a highly fluorinated compound, which gives it unique properties such as high thermal stability and resistance to chemical reactions. Due to these properties, it is often used in the production of specialized materials and in the electronics industry. Additionally, it can also be used as an intermediate in the synthesis of other chemicals and pharmaceuticals. However, it is important to handle this compound with caution, as its high fluorination can make it toxic and potentially hazardous if not properly controlled.

Upstream product

• 2201-10-7 1-(2,2,2-trichloroethyl)-4-methylbenzene 
• 84877-44-1 toluene-4-sulfonic acid 2,2,2-trifluoro-1-p-tolyl-ethyl ester 
• 28321-07-5 1-(2,2-difluorovinyl)-4-methylbenzene 
• 589-18-4 4-Methylbenzyl alcohol 
• 106-49-0 p-toluidine 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 129946-88-9 Umemoto's reagent 
• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 371-67-5 2,2,2-trifluorodiazoethane 
• 5720-05-8 4-methylphenylboronic acid 
• 680-15-9 2,2-difluoro-2-(fluorosulfonyl)acetate 
• 87671-54-3 4-methylbenzyl diphenylphosphinite 
• 353-83-3 1,1,1-trifluoro-2-iodoethane 
• 4294-57-9 para-methylphenylmagnesium bromide 

Downstream Products

• 28321-07-5 1-(2,2-difluorovinyl)-4-methylbenzene 

Relevant articles and documents

Denitrogenative Hydrotrifluoromethylation of Benzaldehyde Hydrazones: Synthesis of (2,2,2-Trifluoroethyl)arenes

Reacting hydrazones of arylaldehydes with Togni's CF3-benziodoxolone reagent, in the presence of potassium hydroxide and cesium fluoride, induces a denitrogenative hydrotrifluoromethylation event to produce (2,2,2-trifluoroethyl)arenes. This novel reaction was tolerant to many electronically-diverse functional groups and substitution patterns, as well as naphthyl- and heteroaryl-derived substrates. Advantages of this process include the easy access to hydrazone precursors on a large scale, speed and operational simplicity, and being transition metal-free.

Copper-Mediated Trifluoromethylation of Benzylic Csp3?H Bonds

Trifluoromethyl-containing compounds play a significant role in medicinal chemistry, materials and fine chemistry. Although direct C?H trifluoromethylation has been achieved on Csp2?H bonds, direct conversion of Csp3?H bonds to Csp3?CF3 remains challenging. We report herein an efficient protocol for the selective trifluoromethylation of benzylic C?H bonds. This process is mediated by a combination CuIII?CF3 species and persulfate salts. A wide range of methylarenes can be selectively trifluoromethylated at the benzylic positions. A combination of experimental and theoretical mechanistic studies suggests that the reaction involves a radical intermediate and a CuIII?CF3 species as the CF3 transfer reagent.

Pd-catalyzed divergent trifluoroethylation and arylation of arylboronic acids by aryl(2,2,2-trifluoroethyl)iodonium triflates

Highly electrophilic aryl(2,2,2-trifluoroethyl)iodonium triflates have been used for the first time as trifluoroethyl and aryl transfer reagents in Pd-catalyzed functionalization of arylboronic acids. Electron-rich arylboronic acids reacted with aryl(2,2,