398-42-5

Basic information

• Product Name: 2-(4-Fluorophenyl)-3-oxopropanenitrile
• Synonyms: 2-(4-Fluorophenyl)-3-oxopropanenitrile
• CAS NO: 398-42-5
• Molecular Formula: C₉H₆FNO
• Molecular Weight: 163.1484432
• Mol File: 398-42-5.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(4-Fluorophenyl)-3-oxopropanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-Fluorophenyl)-3-oxopropanenitrile(398-42-5)
• EPA Substance Registry System: 2-(4-Fluorophenyl)-3-oxopropanenitrile(398-42-5)

Safety Data

• Hazardous Substances Data: 398-42-5(Hazardous Substances Data)

Usage

Description

2-(4-Fluorophenyl)-3-oxopropanenitrile is a chemical compound with the molecular formula C10H6FNO, characterized by its white crystalline powder form and a melting point of 117-118°C. It is known for its reactivity and is commonly used as a building block in organic synthesis for creating more complex molecules.

Uses

Used in Pharmaceutical Industry:
2-(4-Fluorophenyl)-3-oxopropanenitrile is used as an intermediate in the synthesis of various drugs and pharmaceuticals, playing a crucial role in the development of new medications.
Used in Organic Synthesis:
As a reactive building block, 2-(4-Fluorophenyl)-3-oxopropanenitrile is utilized in the creation of more complex organic molecules, contributing to the advancement of chemical research and the development of novel compounds.

Upstream product

• 459-22-3 4-fluorophenylacetonitrile 
• 109-94-4 formic acid ethyl ester 

Downstream Products

• 244233-89-4 1-(2-Nitro-5-chlorophenyl)-4-(4-fluorophenyl)-5-aminopyrazole 
• 5848-05-5 5-amino-4-(4-fluorophenyl)-1H-pyrazole 
• 1030476-76-6 C₁₃H₁₀FN₃O 
• 919745-15-6 C₁₃H₉ClFN₃ 
• 1031654-17-7 C₁₇H₂₀FN₅ 
• 1026704-20-0 Acetic acid 2-[7-(4-fluoro-phenyl)-2,4-dioxo-3,4-dihydro-2H-thieno[3,2-d]pyrimidin-1-ylmethoxy]-ethyl ester 
• 1027183-54-5 7-(4-Fluoro-phenyl)-2,4-bis-trimethylsilanyloxy-thieno[3,2-d]pyrimidine 

Relevant articles and documents

Development of Pyrazolopyrimidine Anti- Wolbachia Agents for the Treatment of Filariasis

Anti-Wolbachia therapy has been identified as a viable treatment for combating filarial diseases. Phenotypic screening revealed a series of pyrazolopyrimidine hits with potent anti-Wolbachia activity. This paper focuses on the exploration of the SAR for this chemotype, with improvement of metabolic stability and solubility profiles using medicinal chemistry approaches. Organic synthesis has enabled functionalization of the pyrazolopyrimidine core at multiple positions, generating a library of compounds of which many analogues possess nanomolar activity against Wolbachia in vitro with improved DMPK parameters. A lead compound, 15f, was selected for in vivo pharmacokinetics (PK) profiling in mice. The combination of potent anti-Wolbachia activity in two in vitro assessments plus the exceptional oral PK profiles in mice puts this lead compound in a strong position for in vivo proof-of-concept pharmacodynamics studies and demonstrates the strong potential for further optimization and development of this series for treatment of filariasis in the future.

Pyrazolotriazines as inhibitors of nucleases

The invention provides compounds represented by the structural formula (1): wherein R1, R2, R3 and R4 are as defined in the claims. The compounds are inhibitors of nucleases, and are useful in particular in a method of treatment and/or prevention of proliferative diseases, neurodegenerative diseases, and other genomic instability associated diseases.

Benzodiazepine receptor ligands III. Synthesis and biological evaluation of 2- and/or 3-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides

A new series of 2- and/or 3-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides and their 8-chloro derivatives were synthesized, and their benzodiazepine receptor (BZR) affinities were evaluated in vitro in comparison to lead compound 3-ethoxycarbonyl-8-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide (29) [1,2]. None of the new compounds showed significant affinity for BZR. On the basis of a pharmacophore/receptor model suggested for lead compound 29, some hypotheses to explain the inactivity of new derivatives are discussed.