55805-10-2

Basic information

• Product Name: 4-(DIFLUOROMETHOXY)BENZONITRILE
• Synonyms: ART-CHEM-BB B018635;AKOS B018635;4-(DIFLUOROMETHOXY)BENZONITRILE;4-(DIFLUOROMETHOXY)BENZONITRILE 97+%;4-(Difluoromethoxy)benzonitile;4-(DifluoroMethyl)benzonitrile;α,α-Difluoro-p-tolunitrile;Benzonitrile,4-(difluoroMethyl)
• CAS NO: 55805-10-2
• Molecular Formula: C₈H₅F₂N
• Molecular Weight: 169.13
• Product Categories: Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;Fluorine series
• Mol File: 55805-10-2.mol
• Article Data: 39

Chemical Properties

• Boiling Point: 244.6°C at 760 mmHg
• Flash Point: 101.7°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 0.0302mmHg at 25°C
• Refractive Index: 1.478
• Storage Temp.: Refrigerator
• Solubility: Dichloromethane, Ethyl Acetate
• CAS DataBase Reference: 4-(DIFLUOROMETHOXY)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(DIFLUOROMETHOXY)BENZONITRILE(55805-10-2)
• EPA Substance Registry System: 4-(DIFLUOROMETHOXY)BENZONITRILE(55805-10-2)

Safety Data

• Hazardous Substances Data: 55805-10-2(Hazardous Substances Data)

Usage

Chemical Properties

Pale Yellow Oil

Uses

4-(Difluoromethyl)benzonitrile can be used as a reagent in the preparation of furanone dipeptides.

InChI:InChI=1/C8H5F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H

Upstream product

• 105-07-7 4-cyanobenzaldehyde 
• 87829-00-3 4-(hydrazonomethyl)benzonitrile 
• 1309-60-0 lead(IV) oxide 
• 104-85-8 para-methylbenzonitrile 
• 854778-10-2 2-(4-cyanophenyl)-2,2-difluoroacetic acid ethyl ester 
• 1261358-84-2 2-(4-cyanophenyl)-2,2-difluoro-acetic acid 
• 3058-39-7 4-iodobenzonitrile 
• 873-74-5 4-Aminobenzonitrile 
• 623-00-7 4-bromobenzenecarbonitrile 
• 3429-52-5 2,2,3-trimethyl-2-silabutane 
• 75-45-6 Chlorodifluoromethane 
• 1219454-89-3 2-((difluoromethyl)sulfonyl)pyridine 
• 874480-17-8 C₁₄H₈N₂Zn 
• 1511-62-2 bromodifluoromethane 

Downstream Products

• 455-18-5 4-CF₃C₆H₄CN 
• 104-85-8 para-methylbenzonitrile 
• 754920-30-4 (4-(difluoromethyl)phenyl)methanamine 
• 55805-21-5 4-(difluoromethyl)benzoic acid 

Relevant articles and documents

PROCESSES FOR FLUORINATION

The present technology relates to fluorination reactions. Specifically, processes useful for making the fungicide compound, DFT are disclosed. More broadly, also disclosed herein are processes useful for deoxyfluorination at the α-aromatic position of a given compound.

Base-Catalyzed H/D Exchange Reaction of Difluoromethylarenes

The budding deuteriodifluoromethyl group (CF2D) is a potentially significant functional group in medicinal chemistry. Herein, we investigated t-BuOK-catalyzed H/D exchange reaction of difluoromethylarenes in DMSO-d6 solution. The method provides excellent

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.