1099597-89-3

Basic information

• Product Name: 1-tert-Butyl-4-(2,2,2-trifluoroethyl)benzene
• Synonyms: 1-tert-Butyl-4-(2,2,2-trifluoroethyl)benzene;Benzene, 1-(1,1-dimethylethyl)-4-(2,2,2-trifluoroethyl)-
• CAS NO: 1099597-89-3
• Molecular Formula: C₁₂H₁₅F₃
• Molecular Weight: 216.24
• Mol File: 1099597-89-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 202.8±40.0 °C(Predicted)
• Appearance: /
• Density: 1.053±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1-tert-Butyl-4-(2,2,2-trifluoroethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-Butyl-4-(2,2,2-trifluoroethyl)benzene(1099597-89-3)
• EPA Substance Registry System: 1-tert-Butyl-4-(2,2,2-trifluoroethyl)benzene(1099597-89-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 1099597-89-3(Hazardous Substances Data)

Usage

General Description

1-(tert-butyl)-4-(2,2,2-trifluoroethyl)benzene is a chemical compound that belongs to the class of aromatic compounds. It is a derivative of benzene, with a tert-butyl group attached to the first carbon and a 2,2,2-trifluoroethyl group attached to the fourth carbon of the benzene ring. 1-(tert-butyl)-4-(2,2,2-trifluoroethyl)benzene is commonly used as a building block in organic synthesis and can be found in various industrial applications. It has a molecular formula of C14H17F3 and a molar mass of 236.28 g/mol. This chemical compound is a colorless liquid with a characteristic aromatic odor and is considered to be stable under normal conditions. It may pose certain health and environmental risks and should be handled with caution.

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Relevant articles and documents

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.

Nickel-Catalyzed Direct Trifluoroethylation of Aryl Iodides with 1,1,1-Trifluoro-2-Iodoethane via Reductive Coupling

A nickel-catalyzed direct trifluoroethylation of aryl iodides with an industrial raw material CF3CH2I has been developed, demonstrating high efficiency, excellent functional-group compatibility, especially with large sterically hindered groups. The key to success is the combination of nickel with readily available nitrogen and phosphine ligands. The powerful potential of this strategy is further demonstrated by the late-stage modification of several derived bioactive molecules. (Figure presented.).

Dehydroxylative Trifluoromethylthiolation, Trifluoromethylation, and Difluoromethylation of Alcohols

CF3S, CF3 and HCF2 groups have been identified as valuable functionalities for drug development. Despite significant accomplishments in the trifluoromethylthiolation, trifluoromethylation and difluoromethylation reactions, directly converting common functional groups into CF3S, CF3 or HCF2 groups is still highly desirable. Described here is the dehydroxylative trifluoromethylthiolation, trifluoromethylation and difluoromethylation of alcohols promoted by a R3P/ICH2CH2I system. All of these dehydroxylative reactions were achieved under mild conditions via the activation of the hydroxyl group by the R3P/ICH2CH2I system. A wide substrate scope and good functional group tolerance were observed.