2713-85-1

Basic information

• Product Name: N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE
• Synonyms: N-(4-fluorophenyl)-3-oxobutanamide;Butanamide, N-(4-fluorophenyl)-3-oxo-
• CAS NO: 2713-85-1
• Molecular Formula: C₁₀H₁₀FNO₂
• Molecular Weight: 195.2
• Mol File: 2713-85-1.mol
• Article Data: 30

Chemical Properties

• Melting Point: 102 °C(Solv: water (7732-18-5))
• Boiling Point: 369.9 °C at 760 mmHg
• Flash Point: 177.5 °C
• Appearance: /
• Density: 1.244 g/cm³
• Vapor Pressure: 1.15E-05mmHg at 25°C
• Refractive Index: 1.547
• PKA: 11.13±0.46(Predicted)
• CAS DataBase Reference: N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE(2713-85-1)
• EPA Substance Registry System: N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE(2713-85-1)

Safety Data

• Hazardous Substances Data: 2713-85-1(Hazardous Substances Data)

Usage

General Description

N-(4-fluoro-phenyl)-3-oxo-butyramide is a chemical compound with the molecular formula C10H10FNO2. It is a white to off-white solid that is commonly used as an intermediate in the production of pharmaceuticals, agrochemicals, and organic compounds. N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE is a derivative of butyramide and contains a fluorine-substituted phenyl group. It is primarily used as a building block in the synthesis of various biologically active compounds, and it has been found to exhibit potential pharmacological activities. In addition to its role in organic synthesis, N-(4-fluoro-phenyl)-3-oxo-butyramide may also have applications in research and development in the fields of medicinal chemistry and drug discovery.

InChI:InChI=1/C10H10FNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 371-40-4 4-fluoroaniline 
• 141-97-9 ethyl acetoacetate 
• 105-45-3 acetoacetic acid methyl ester 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 

Downstream Products

• 61643-54-7 C₁₃H₁₄FNO₃ 
• 455927-22-7 4-(2-chlorophenyl)-6-methyl-N-4-fluoro phenyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxamide 
• 537678-78-7 C₁₈H₁₅FN₄O₃S 
• 1172995-86-6 C₁₈H₁₆FN₃O₂S 
• 537678-94-7 C₂₀H₂₁FN₄OS 
• 400024-07-9 4-bromo-N-(4-fluorophenyl)-3-oxobutanamide 
• 1057675-61-2 N-(4-fluorophenyl)-2-hydroxyimino-3-oxobutyramide 
• 1256814-15-9 N-(p-fluorophenyl)-1,5-dimethyl-3-oxido-1H-imidazole-4-carboxamide 
• 866871-71-8 N-(4-fluorophenyl)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxamide 
• 18529-12-9 2-chloro-6-fluoro-4-methylquinoline 
• 37540-41-3 N-(4-fluorophenyl)-2,2-dichloroacetamide 
• 15912-69-3 6-fluoro-2-hydroxy-4-methylquinoline 
• 607-40-9 6-fluoro-2-hydroxy-quinoline-4-carboxylic acid 
• 145508-23-2 2-(bis(methylthio)methylene)-N-(4-fluorophenyl)-3-oxobutanamide 

Relevant articles and documents

Structural motifs in acetoacetanilides: The effect of a fluorine substituent

The structures of three fluoro-substituted acetoacetanilides were discussed. A planar structure with intramolecular hydrogen bonding was observed when the F atom was in ortho position of the aromatic ring, and a twisted structure with intermolecular hydrogen bonding was observed when the F atom was in meta or para positions. Fluorine appeared to mimic the steric effect of a large substituent which was attributed to high electronegativity.

Visible Light-Induced Pericyclic Cascade Reaction for the Synthesis of Quinolinone Derivatives with an Oxabicyclo[4.2.0]octene Skeleton

A photoinduced pericyclic cascade reaction has been developed to afford oxabicyclo[4.2.0]octenes. Mechanistic studies show that this reaction undergoes [2 + 2]-photocycloaddition, base-promoted elimination, retro-4π-electrocyclization, [1,5]-H shift, and

Phenothiazine and amide-ornamented novel nitrogen heterocyclic hybrids: synthesis, biological and molecular docking studies

The synthesis of novel hybrids, namely, phenothiazine and amide-ornamented nitrogen heterocycles (25-34) has been accomplished utilizing a multi-step synthetic protocol and the structures have been established based on physical and spectral techniques. Of these, the hybrids possessing meta-nitro (26), para-fluoro (28), meta- and para-methyl (31), ortho-bromo (33) and ortho- and para-dimethyl (34) phenyl carboxamide scaffolds exhibited superior anti-inflammatory profiles over the standard diclofenac sodium. A hybrid integrated with a para-fluorophenyl carboxamide moiety (28) showed the highest DPPH radical scavenging activity among the chemical entities synthesized. Furthermore, the results of anticancer evaluations implied that the hybrid tethered with a phenyl carboxamide structural unit (29) exerted superior activity when compared with other hybrids against the pancreatic cancer cells SW1990 and AsPC1. Molecular docking between the hybrid 29 and B-cell lymphoma 2 reflects its appreciable binding affinity (-8.84 kcal mol-1). The results revealed that these chemical entities can serve as potent biological agents and/or efficient intermediates for the construction of potent biological agents.