359-12-6

Usage

Uses

Used in Pharmaceutical Industry:
Difluoroacetonitrile is used as a key intermediate in the synthesis of various pharmaceutical compounds for its unique chemical properties. It plays a crucial role in the development of new drugs and the improvement of existing ones.
Used in Organic Chemistry:
In the field of organic chemistry, difluoroacetonitrile is used as a reagent in various chemical reactions. Its ability to participate in a wide range of reactions makes it a valuable tool for the synthesis of complex organic molecules.
Used in Chemical Research:
Difluoroacetonitrile is also utilized in chemical research to study its properties and potential applications. Researchers use DIFLUOROACETONITRILE to explore new reaction pathways and develop innovative synthetic methods.

InChI:InChI=1/C2HF2N/c3-2(4)1-5/h2H

Upstream product

• 359-38-6 2,2-difluoroacetamide 
• 75-05-8 acetonitrile 
• 773837-37-9 sodium cyanide 
• 75-45-6 Chlorodifluoromethane 

Downstream Products

• 155094-61-4 N-Ethyl-N-phenyldifluoroacetamide 
• 71025-65-5 1,1-difluoro-3-phenyl-2-aminopropane 
• 14978-91-7 cis-1,2-difluorovinylene dicyanide 
• 41809-92-1 Difluorfumaronitril 
• 1335113-27-3 2,2-difluoro-1-(4-hydroxy-3,5-dimethylphenyl)ethanone 
• 1335113-22-8 1-(5-chloro-2-methoxyphenyl)-2,2-difluoroethanone 
• 1335113-26-2 1-(2,5-dimethylphenyl)-2,2-difluoroethanone 
• 1335113-25-1 1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone 
• 395-01-7 2,2-difluoro-1-phenylethanone 
• 2218-52-2 sodium salt of difluoroacetate 
• 454-31-9 ethyl difluoroacetate 
• 1599437-72-5 (Z)-diphenyl (2,2-difluoroethanimidoyl)phosphonate 
• 1599437-72-5 (E)-diphenyl (2,2-difluoroethanimidoyl)phosphonate 

Relevant academic research and scientific papers

METHOD FOR PREPARING DIFLUOROACETONITRILE AND THE DERIVATIVES THEREOF

The present invention relates to a method for preparing difluoracetonitrile and the derivatives thereof. The method for preparing difluoroacetonitrile according to the invention is characterized in that it includes reacting halogenodifluoromethane and a source of cyanide anions in an alkaline medium. The invention also relates to the use of difluoroacetonitrile as an intermediate in the manufacture of difluoroacetic acid and the salts, esters, or amide thereof

Process For Preparing Fluoroalkyl Nitriles

The present invention relates to a process for preparing fluoroalkyl nitriles by reacting fluorinated carboxamides with halides and fluorinated carboxylic acids.

Application of the goldilocks effect to the design of potent and selective inhibitors of phenylethanolamine N-methyltransferase: Balancing pKa and steric effects in the optimization of 3-methyl-1,2,3,4- tetrahydroisoquinoline inhibitors by β-fluorination

3-Methyl-1,2,3,4-tetrahydroisoquinolines (3-methyl-THIQs) are potent inhibitors of phenylethanolamine N-methyltransferase (PNMT), but are not selective due to significant affinity for the α2-adrenoceptor. Fluorination of the methyl group lowers the pKa of the THIQ amine from 9.53 (CH3) to 7.88 (CH2F), 6.42 (CHF2), and 4.88 (CF3). This decrease in pKa results in a reduction in affinity for the α2-adrenoceptor. However, increased fluorination also results in a reduction in PNMT inhibitory potency, apparently due to steric and electrostatic factors. Biochemical evaluation of a series of 3-fluoromethyl-THIQs and 3-trifluoromethyl-THIQs showed that the former were highly potent inhibitors of PNMT, but were often nonselective due to significant affinity for the α2-adrenoceptor, while the latter were devoid of α2-adrenoceptor affinity, but also lost potency at PNMT. 3-Difluoromethyl-7-substituted-THIQs have the proper balance of both steric and pKa properties and thus have enhanced selectivity versus the corresponding 3-fluoromethyl-7-substituted-THIQs and enhanced PNMT inhibitory potency versus the corresponding 3-trifluoromethyl-7-substituted- THIQs. Using the "Goldilocks Effect" analogy, the 3-fluoromethyl-THIQs are too potent (too hot) at the α2-adrenoceptor and the 3-trifluoromethyl-THIQs are not potent enough (too cold) at PNMT, but the 3-difluoromethyl-THIQs are just right. They are both potent inhibitors of PNMT and highly selective due to low affinity for the α2- adrenoceptor. This seems to be the first successful use of the β-fluorination of aliphatic amines to impart selectivity to a pharmacological agent while maintaining potency at the site of interest.