55805-05-5

Basic information

• Product Name: 4-(1,1-Difluoroethyl)benzonitrile
• Synonyms: 4-(1,1-Difluoroethyl)benzonitrile
• CAS NO: 55805-05-5
• Molecular Formula: C₉H₇F₂N
• Molecular Weight: 167.1553864
• Mol File: 55805-05-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 235.8±35.0 °C(Predicted)
• Appearance: /
• Density: 1.16±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 4-(1,1-Difluoroethyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1,1-Difluoroethyl)benzonitrile(55805-05-5)
• EPA Substance Registry System: 4-(1,1-Difluoroethyl)benzonitrile(55805-05-5)

Safety Data

• Hazardous Substances Data: 55805-05-5(Hazardous Substances Data)

Usage

General Description

4-(1,1-Difluoroethyl)benzonitrile is a chemical compound with the molecular formula C9H6F2N. It is a colorless liquid that is insoluble in water but soluble in organic solvents. 4-(1,1-Difluoroethyl)benzonitrile is commonly used in the pharmaceutical and agrochemical industries as an intermediate in the synthesis of various organic compounds. It is also used as a building block in the production of specialty chemicals and as a reagent in organic chemistry reactions. Additionally, 4-(1,1-Difluoroethyl)benzonitrile has potential applications in the field of material science, particularly in the development of advanced polymers and resins. However, it is important to handle this chemical with caution as it can be harmful if ingested, inhaled, or absorbed through the skin, and precautions should be taken to prevent exposure.

Upstream product

• 420-47-3 1,1-difluoro-1-iodoethane 
• 1443-80-7 4-cyanophenyl methyl ketone 

Downstream Products

• 1370439-25-0 C₁₂H₁₂F₂N₂ 
• 1370439-31-8 C₁₂H₁₂F₂N₂S 
• 790601-53-5 [4-(1,1-difluoroethyl)phenyl]methanamine 
• 55805-15-7 para α,α-difluoro ethyl benzamide 
• 55805-14-6 4-(1,1-difluoroethyl)benzoic acid 
• 55805-22-6 4-(1,1-difluoroethyl)benzaldehyde 

Relevant articles and documents

Visible-light photoredox-catalyzed selective carboxylation of C(sp3)?F bonds with CO2

It is highly attractive and challenging to utilize carbon dioxide (CO2), because of its inertness, as a nontoxic and sustainable C1 source in the synthesis of valuable compounds. Here, we report a novel selective carboxylation of C(sp3)?F bonds with CO2 via visible-light photoredox catalysis. A variety of mono-, di-, and trifluoroalkylarenes as well as α,α-difluorocarboxylic esters and amides undergo such reactions to give important aryl acetic acids and α-fluorocarboxylic acids, including several drugs and analogs, under mild conditions. Notably, mechanistic studies and DFT calculations demonstrate the dual role of CO2 as an electron carrier and electrophile during this transformation. The fluorinated substrates would undergo single-electron reduction by electron-rich CO2 radical anions, which are generated in situ from CO2 via sequential hydride-transfer reduction and hydrogen-atom-transfer processes. We anticipate our finding to be a starting point for more challenging CO2 utilization with inert substrates, including lignin and other biomass.

METHOD FOR PRODUCING (FLUOROALKYL) ARENE

PROBLEM TO BE SOLVED: To provide a method for efficiently producing fluoroalkyl arene, which is important as synthetic raw materials for medicines and functional materials. SOLUTION: A fluoroalkyl arene is produced by the reaction between an aryl metal species represented by formula (2) and a fluoroalkyl halide represented by formula (3) in the presence of a cobalt compound and an ethylenediamine derivative. In the formula (2) shown in the following figure, R11-R15 independently represent H, a C1-C4 alkyl group or the like. In the formula (3): Y-Rf, Y is Cl or the like; Rf is a C2-C3 fluoroalkyl group. SELECTED DRAWING: None COPYRIGHT: (C)2016,JPOandINPIT