671188-82-2

Basic information

• Product Name: 3-(4-fluorophenyl)-3-oxopropanamide
• Synonyms: 3-(4-fluorophenyl)-3-oxopropanamide
• CAS NO: 671188-82-2
• Molecular Formula: C9H8FNO2
• Molecular Weight: 181.1637232
• Mol File: 671188-82-2.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 390.7±22.0 °C(Predicted)
• Appearance: /
• Density: 1.271±0.06 g/cm3(Predicted)
• PKA: 11.51±0.25(Predicted)
• CAS DataBase Reference: 3-(4-fluorophenyl)-3-oxopropanamide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-fluorophenyl)-3-oxopropanamide(671188-82-2)
• EPA Substance Registry System: 3-(4-fluorophenyl)-3-oxopropanamide(671188-82-2)

Safety Data

• Hazardous Substances Data: 671188-82-2(Hazardous Substances Data)

Usage

General Description

3-(4-fluorophenyl)-3-oxopropanamide, also known as fluoroacetylphenylalanine, is a chemical compound with the molecular formula C9H8FNO2. It is a derivative of phenylalanine and is categorized as an amide. 3-(4-fluorophenyl)-3-oxopropanamide is used in organic synthesis and pharmaceutical research, particularly in the development of novel drugs and medications. Its structure includes a fluoro-substituted phenyl group attached to a propanamide moiety, and it exhibits potential pharmacological properties. 3-(4-fluorophenyl)-3-oxopropanamide is of interest to researchers for its potential biological activities and is the subject of ongoing investigations in the field of medicinal chemistry.

Upstream product

• 4640-67-9 3-(4-fluorophenyl)-3-oxopropionitrile 
• 451-46-7 4-fluorobenzoic acid ethyl ester 
• 456-22-4 4-Fluorobenzoic acid 

Relevant articles and documents

Preparation method of blonanserin intermediate

The invention relates to a preparation method of a blonanserin intermediate, which comprises the following steps: hydrolyzing p-fluorobenzoyl acetonitrile in an aqueous solution in the presence of acid sulfate, then neutralizing with ammonia water until the pH value is 8-9, filtering and drying to obtain 3-(4-fluorophenyl)-3-oxopropanamide; and reacting 3-(4-fluorophenyl)-3-oxopropanamide with cyclooctanone in the presence of polyphosphoric acid and a catalyst, which is pyridine or a pyridine derivative, crystallizing in alkaline water, and pulping with methyl tert-butyl ether to obtain the blonanserin intermediate. The preparation method has the advantages of high product yield and few impurities, also has the advantage of high yield during large-scale production, and is suitable for industrial production.

High-efficiency preparation method of blonanserin intermediate

The invention discloses a high-efficiency preparation method of a blonanserin intermediate (BN-03). The method comprises the following two steps: (1) hydrolyzing p-fluorobenzoylacetonitrile by using 30% hydrogen peroxide in the presence of a composite catalyst composed of a heteropoly acid (a heteropoly acid salt) and a phase transfer catalyst under basic conditions in an organic solvent so as togenerate 3-(4-fluorophenyl)-3-oxo-propionamide; and (2) performing a reaction on 3-(4-fluorophenyl)-3-oxo-propionamide and cyclooctanone under the catalysis of an acid in at least one organic solventso as to obtain 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-2(1H)-one. The total yield of the product is increased from 63.5% to about 85%.

Ruthenium-Catalyzed Synthesis of β-Hydroxyamides from β-Ketonitriles in Water

An unprecedented hydration/transfer hydrogenation tandem process for the catalytic conversion of β-ketonitriles into synthetically useful β-hydroxyamides in water has been developed, making use of the ruthenium(II) complex [RuCl2(η6-