1261289-79-5

Basic information

• Product Name: 4,4-difluoro-3-oxobutanenitrile
• Synonyms: 4,4-difluoro-3-oxobutanenitrile
• CAS NO: 1261289-79-5
• Molecular Formula: C4H3F2NO
• Molecular Weight: 119.0695264
• Mol File: 1261289-79-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 138.2±30.0 °C(Predicted)
• Appearance: /
• Density: 1.235±0.06 g/cm3(Predicted)
• PKA: 4.02±0.10(Predicted)
• CAS DataBase Reference: 4,4-difluoro-3-oxobutanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-difluoro-3-oxobutanenitrile(1261289-79-5)
• EPA Substance Registry System: 4,4-difluoro-3-oxobutanenitrile(1261289-79-5)

Safety Data

• Hazardous Substances Data: 1261289-79-5(Hazardous Substances Data)

Usage

General Description

4,4-Difluoro-3-oxobutanenitrile is a chemical compound that is also known as difluoroketobutyronitrile. It is a colorless liquid with a pungent odor. 4,4-Difluoro-3-oxobutanenitrile is commonly used as a building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It is a versatile intermediate that can undergo a variety of chemical reactions to produce a range of different compounds. Additionally, it is known for its ability to act as a strong nucleophile, making it useful in certain types of chemical reactions. However, it is important to handle this compound with care, as it is flammable and may be harmful if inhaled or ingested.

Upstream product

• 433-53-4 difluoroacetic acid methyl ester 
• 75-05-8 acetonitrile 
• 454-31-9 ethyl difluoroacetate 

Relevant articles and documents

Synthesis and Biological Activity of Novel Pyrazol-5-yl-benzamide Derivatives as Potential Succinate Dehydrogenase Inhibitors

To promote the discovery and development of new fungicides, a series of novel pyrazol-5-yl-benzamide derivatives were designed, synthesized by hopping and inversion of amide groups of pyrazole-4-carboxamides, and evaluated for their antifungal activities. The bioassay data revealed that compound 5IIc exhibited an excellent in vitro activity against Sclerotinia sclerotiorum with an EC50 value of 0.20 mg/L, close to that of commercial fungicide Fluxapyroxad (EC50 = 0.12 mg/L) and Boscalid (EC50 = 0.11 mg/L). For Valsa mali, compound 5IIc (EC50 = 3.68 mg/L) showed a significantly higher activity than Fluxapyroxad (EC50 = 12.67 mg/L) and Boscalid (EC50 = 14.83 mg/L). In addition, in vivo experiments proved that compound 5IIc has an excellent protective fungicidal activity with an inhibitory rate of 97.1% against S. sclerotiorum at 50 mg/L, while the positive control Fluxapyroxad showed a 98.6% inhibitory effect. The molecular docking simulation revealed that compound 5IIc interact with TRP173, SER39, and ARG43 of succinate dehydrogenase (SDH) through a hydrogen bond and p-πinteraction, which could explain the probable mechanism of the action between compound 5IIc and target protein. Also, the SDH enzymatic inhibition assay was carried out to further validate its mode of action. These results demonstrate that compound 5IIc could be a promising fungicide candidate and provide a valuable reference for further investigation.

AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES

Compounds are provided that act as potent antagonists of the CCR(9) receptor for treating Sjogren's syndrome. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions.

SERINE/THREONINE PAK1 INHIBITORS

Compounds having the formula I wherein A, Z, R1a, R1b, R2, R3, R4, R5, R6, R7, R9, R10, Ra, Rb and n are as defined herein are inhibitors of PAK1. Also disclosed are compositions and methods for treating cancer and hyperproliferative disorders.