1138445-30-3

Basic information

• Product Name: 1-(1,1-Difluoroethyl)-4-(trifluoromethyl)benzene
• Synonyms: 1-(1,1-Difluoroethyl)-4-(trifluoromethyl)benzene
• CAS NO: 1138445-30-3
• Molecular Formula: C9H7F5
• Molecular Weight: 210.143896
• Mol File: 1138445-30-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 168.8±35.0 °C(Predicted)
• Appearance: /
• Density: 1.254±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1-(1,1-Difluoroethyl)-4-(trifluoromethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1,1-Difluoroethyl)-4-(trifluoromethyl)benzene(1138445-30-3)
• EPA Substance Registry System: 1-(1,1-Difluoroethyl)-4-(trifluoromethyl)benzene(1138445-30-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 1138445-30-3(Hazardous Substances Data)

Usage

General Description

The chemical compound 1-(1,1-Difluoroethyl)-4-(trifluoromethyl)benzene is a halogenated aromatic compound with the molecular formula C9H7F5. It is composed of a benzene ring with a 1,1-difluoroethyl group and a trifluoromethyl group attached at different positions on the ring. 1-(1,1-Difluoroethyl)-4-(trifluoromethyl)benzene is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Due to the presence of fluoroalkyl groups, it exhibits unique physical and chemical properties, making it useful for various applications in the chemical industry. It is important to handle this compound with care, as fluoroalkyl compounds can be harmful if not used properly.

Upstream product

• 420-43-9 1-bromo-1,1-difluoroethane 
• 402-51-7 4-(trifluoromethyl)phenylmagnesium bromide 
• 75-68-3 1-Chloro-1,1-difluoroethane 
• 128796-39-4 4-trifluoromethylphenylboronic acid 
• 1232133-62-8 mesityl(4-(trifluoromethyl)phenyl)-λ³-iodanyl trifluoromethanesulfonate 
• 115134-88-8 (1,1-difluoroethyl)trimethylsilane 

Relevant articles and documents

1,1-Difluoroethyl chloride (CH3CF2Cl), a novel difluoroalkylating reagent for 1,1-difluoroethylation of arylboronic acids

1,1-Difluoroethylated aromatics are of great importance in medicinal chemistry and related fields. 1,1-Difluoroethyl chloride (CH3CF2Cl), a cheap and abundant industrial raw material, is viewed as an ideal 1,1-difluoroethylating reagent, but the direct introduction of the difluoroethyl (CF2CH3) group onto aromatic rings using CH3CF2Cl has not been successfully accomplished. Herein, we disclose a nickel-catalyzed 1,1-difluoroethylation of arylboronic acids with CH3CF2Cl for the synthesis of (1,1-difluoroethyl)arenes.

Copper-Mediated Aromatic 1,1-Difluoroethylation with (1,1-Difluoroethyl)trimethylsilane (TMSCF2CH3)

A new method for the formation of 1,1-difluoroethyl copper species (“CuCF2CH3”) with 1,1-difluoroethylsilane (TMSCF2CH3) has been developed. The “CuCF2CH3” species can be applied to the efficient 1,1-difluoroethylation of diaryliodonium salts under mild conditions, affording (1,1-difluoroethyl)arenes in good to excellent yields. This convenient procedure tolerates a wide range of functional groups and thus serves as a practical synthetic tool for the introduction of CF2CH3 group(s) into complex molecules.

Cobalt/diamine-catalyzed 1,1-difluoroethylation and 2,2,2-trifluoroethylation of aryl Grignard reagents with corresponding fluoroalkyl halides

Cobalt/diamine-catalyzed 1,1-difluoroethylation and 2,2,2-trifluoroethylation of aryl Grignard reagents with 1,1-difluoroethyl and 2,2,2-trifluoroethyl halides were investigated. With regard to the 1,1-difluoroethylation, 1,2-bis(dimethylamino)-2-methylpropane, which has been rarely used in the cross-coupling reactions, gave the highest yield among the diamine ligands tested. In the 2,2,2-trifluoroethylation, trans-1,2-bis(dimethylamino)cyclohexane provided the desired products in satisfactory yields with not only 2,2,2-trifluoroethyl iodide but also chloride. This Co/diamine catalyst was also effective for the coupling with other partially fluorinated alkyl halides in the presence of appropriate diamine ligands.