91459-68-6

Basic information

• Product Name: 1-DIFLUOROMETHYL-IMIDAZOLE
• Synonyms: 1-DIFLUOROMETHYL-IMIDAZOLE;1H-Imidazole, 1-(difluoromethyl)-;1-DIFLUOROMETHYL-1H-IMIDAZOLE
• CAS NO: 91459-68-6
• Molecular Formula: C4H4F2N2
• Molecular Weight: 118.086
• Mol File: 91459-68-6.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 188.8°C at 760 mmHg
• Flash Point: 68°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 0.811mmHg at 25°C
• Refractive Index: 1.475
• CAS DataBase Reference: 1-DIFLUOROMETHYL-IMIDAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-DIFLUOROMETHYL-IMIDAZOLE(91459-68-6)
• EPA Substance Registry System: 1-DIFLUOROMETHYL-IMIDAZOLE(91459-68-6)

Safety Data

• Hazardous Substances Data: 91459-68-6(Hazardous Substances Data)

Usage

Derivative of

Imidazole (a heterocyclic compound with a five-membered ring and two non-adjacent nitrogen atoms)

Substitution

Difluoromethyl group

Applications

Synthesis of pharmaceuticals, agrochemicals, and materials science

Use as a reagent

In organic chemistry reactions, particularly in the preparation of fluorinated compounds

Value in drug discovery

Valuable building block

Potential uses

Electronics field and as a ligand in catalytic reactions

InChI:InChI=1/C4H4F2N2/c5-4(6)8-2-1-7-3-8/h1-4H

Upstream product

• 288-32-4 1H-imidazole 
• 75-45-6 Chlorodifluoromethane 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 328406-16-2 1-bromodifluoromethylimidazole 
• 1097192-99-8 N-toluylsulfonyl S-difluoromethyl S-phenyl sulfoximine 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 75-46-7 trifluoromethan 

Relevant articles and documents

Method for synthesizing 1-difluoromethyl imidazole and derivative thereof

The invention discloses a method for synthesizing 1-difluoromethyl imidazole and a derivative thereof. The method is characterized in that ethyl bromodifluoroacetate, a substrate iminazole and a derivative thereof and alkali are dissolved in a reaction solvent, the mixed liquid is heated and stirred, a difluoromethylation reaction happens, and the substrate is benzimidazole, 2-phenyl benzimidazole, 5-nitrobenzimidazole, 5,6-dimethyl benzimidazole, imidazole, 2-methylimidazole and 2-ethyl imidazole. Ethyl bromodifluoroacetate is adopted as a difluoromethylation reagent, no ozone is consumed, environmental friendliness is achieved, the whole reaction condition is mild and aftertreatment is simple.

N -difluoromethylation of imidazoles and benzimidazoles using the ruppert-prakash reagent under neutral conditions

Direct N-difluoromethylation of imidazoles and benzimidazoles has been achieved using TMS-CF3 (the Ruppert-Prakash reagent) under neutral conditions. Difluoromethylated products were obtained in good-to-excellent yields. Inexpensive, commercial

N-tosyl-S-difluoromethyl-S-phenylsulfoximine: A new difluoromethylation reagent for S-, N-, and C-nucleophiles

The first α-difluoromethyl sulfoximine compound, 2, was successfully prepared by using the copper(ll)-catalyzed nitrene transfer reaction. Compound 2 was found to be a novel and efficient difluoromethylation reagent for transferring the CF2H gr