219529-31-4

Basic information

• Product Name: N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE
• Synonyms: AKOS BBS-00006549;CBI-BB ZERO/005582;N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE
• CAS NO: 219529-31-4
• Molecular Formula: C₉H₆ClFN₂O
• Molecular Weight: 212.61
• Product Categories: Aromatics;Miscellaneous Reagents;Aromatics, Miscellaneous Reagents
• Mol File: 219529-31-4.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Solubility: Tetrahydrofuran
• CAS DataBase Reference: N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE(219529-31-4)
• EPA Substance Registry System: N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE(219529-31-4)

Safety Data

• Hazardous Substances Data: 219529-31-4(Hazardous Substances Data)

Usage

Description

N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE, with the chemical formula C9H3ClFN2O, is a yellow solid compound that is useful in organic synthesis. It is characterized by the presence of a chloro and fluoro substituent on the phenyl ring, a cyano group, and an amide functional group. This unique structure endows it with potential applications in various fields.

Uses

Used in Organic Synthesis:
N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure allows it to be a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE is used as a key intermediate in the synthesis of novel drug candidates. Its structural features enable the development of new molecules with potential therapeutic applications, such as antimicrobial, antiviral, and anticancer agents.
Used in Agrochemical Industry:
N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE is also utilized in the agrochemical industry as a precursor for the development of new pesticides and herbicides. Its unique chemical properties can contribute to the creation of more effective and environmentally friendly crop protection products.
Used in Specialty Chemicals:
In the specialty chemicals sector, N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE is employed as a raw material for the production of various high-value chemicals. Its versatility and unique structure make it suitable for applications in materials science, dyes, and other specialized areas.

Upstream product

• 367-21-5 3-chloro-4-fluorophenylamine 
• 372-09-8 cyanoacetic acid 
• 693-13-0 diisopropyl-carbodiimide 
• 105-56-6 ethyl 2-cyanoacetate 

Downstream Products

• 846023-32-3 4-bromo-3-ethoxyanilino-(N-3-chloro-4-fluorophenyl)-2-cyano-2-propenamide 
• 915945-39-0 (E/Z) 3-[3-ethoxy-4-(N-phthalimidyl)]anilino-N-(3-chloro-4-fluoro)phenyl-2-cyano-2-propenamide 

Relevant articles and documents

Identification of some novel pyrazolo[1,5-a]pyrimidine derivatives as InhA inhibitors through pharmacophore-based virtual screening and molecular docking

The InhA inhibitors play key role in mycolic acid synthesis by preventing the fatty acid biosynthesis pathway. In this present article, Pharmacophore modelling and molecular docking study followed by in silico virtual screening could be considered as effective strategy to identify newer enoyl-ACP reductase inhibitors. Pyrrolidine carboxamide derivatives were opted to generate pharmacophore models using HypoGen algorithm in Discovery studio 2.1. Further it was employed to screen Zinc and Minimaybridge databases to identify and design newer potent hit molecules. The retrieved newer hits were further evaluated for their drug likeliness and docked against enoyl acyl carrier protein reductase. Here, novel pyrazolo[1,5-a]pyrimidine analogues were designed and synthesized with good yields. Structural elucidation of synthesized final molecules was perform through IR, MASS, 1H-NMR, 13C-NMR spectroscopy and further tested for its in vitro anti-tubercular activity against H37Rv strain using Microplate Alamar blue assay (MABA) method. Most of the synthesized compounds displayed strong anti-tubercular activities. Further, these potent compounds were gauged for MDR-TB, XDR-TB and cytotoxic study.

Process for preparation of 4-amino-3-quinolinecarbonitriles

This invention discloses a process for the preparation of a 4-amino-3-quinolinecarbonitrile comprising combining an amine compound with a cyanoacetic acid and an acid catalyst to yield a cyanoacetamide; condensing the cyanoacetamide with an optionally up to tetra-substituted aniline in an alcoholic solvent and a trialkylorthoformate to yield a 3-amino-2-cyanoacrylamide; combining the 3-amino-2-cyanoacrylamide with phosphorus oxychloride in acetonitrile, butyronitrile, toluene or xylene, optionally in the presence of a catalyst to yield a 4-amino-3-quinolinecarbonitrile and also discloses a process for the preparation of a 7-amino-thieno[3,2-b]pyridine-6-carbonitrile comprising combining a disubstituted 3-amino thiophene with a cyanoacetamide and trialkylorthoformate in an alcoholic solvent to obtain a 3-amino-2-cyanoacrylamide; and combining the 3-amino-2-cyanoacrylamide with phosphorus oxychloride and acetonitrile, butyronitrile, toluene or xylene, optionally in the presence of a catalyst to yield a 7-amino-thieno[3,2-b]pyridine-6-carbonitrile and also discloses a process for the preparation of a 4-amino-3-quinolinecarbonitrile by combining an amine compound with a cyanoacetic acid and a peptide coupling reagent to obtain a suspension; filtering the suspension to yield a cyanoacetamide; condensing the cyanoacetamide with an optionally up to tetra-substituted aniline, an alcoholic solvent, and triethylorthoformate to yield a 3-amino-2-cyanoacrylamide; and combining the 3-amino-2-cyanoacrylamide with phosphorus oxychloride to yield a 4-amino-3-quinolinecarbonitrile.