671188-82-2

Usage

Uses

Used in Organic Synthesis:
3-(4-fluorophenyl)-3-oxopropanamide is used as an intermediate in organic synthesis for the creation of various chemical compounds. Its unique structure allows it to be a valuable building block in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-(4-fluorophenyl)-3-oxopropanamide is utilized as a key component in drug discovery and development. Its potential pharmacological properties make it a promising candidate for the creation of novel medications.
Used in Medicinal Chemistry:
3-(4-fluorophenyl)-3-oxopropanamide is employed as a subject of research in medicinal chemistry to explore its potential biological activities. Researchers are investigating its interactions with biological targets to understand its therapeutic potential and to develop new drugs based on its structure.

Upstream product

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

Relevant academic research and scientific papers

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.

Synthesis of β-hydroxyamides through ruthenium-catalyzed hydration/transfer hydrogenation of β-ketonitriles in water: Scope and limitations

A cascade process for the straightforward one-pot conversion of β-ketonitriles into β-hydroxyamides is presented. The process, that proceeds in water employing the arene-ruthenium(II) complex [RuCl2(η6-p-cymene){P(4-C6H4F)2Cl}] as catalyst in combination with sodium formate, involves the initial hydration of the β-ketonitrile substrates to generate the corresponding β-ketoamide intermediates, which subsequently undergo the transfer hydrogenation (TH) of the carbonyl group. Employing a family of forty different β-ketonitriles, featuring diverse substitution patterns, the scope and limitations of the process have been established.

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%.

One-pot dichlorinative deamidation of primary β-ketoamides

An approach to the dichlorinative deamidation of primary β-ketoamides through ketonic cleavage is described, and a series of α,α-dichloroketones were furnished mostly in the presence of TEMPO. Based on control experiments, a mechanism involving tandem dichlorination and deamidation is proposed to interpret the observed reactivity.

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-

Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: Application to the preparation of β-ketoamides

The catalytic hydration of nitriles into amides, in water under neutral conditions, has been studied using a series of arene-ruthenium(ii) complexes containing commercially available chlorophosphines as auxiliary ligands, i.e. compounds [RuCl2(η6-p-cymene)(PR2Cl)] (R = aryl, heteroaryl or alkyl group). In the reaction medium, the coordinated chlorophosphines readily undergo hydrolysis to generate the corresponding phosphinous acids PR2OH, which are well-known "cooperative" ligands for this catalytic transformation. Among the complexes employed, best results were obtained with [RuCl2(η6-p-cymene){P(4-C6H4F)2Cl}]. Performing the catalytic reactions at 40 °C with 2 mol% of this complex, a large variety of organonitriles could be selectively converted into the corresponding primary amides in high yields and relatively short times. The application of [RuCl2(η6-p-cymene){P(4-C6H4F)2Cl}] in the preparation of synthetically useful β-ketoamides is also presented.

An investigation into formation of impurities during synthesis of blonanserin

During the process development of Blonanserin (1 ), we have observed formations of unknown impurities are in the final product at enhanced levels which was identified as Des ethyl impurity, di-N-ethylpiperazine impurity, Chloro impurity and des-fluoro impurity. The present work involves detailed optimization studies directed toward the development of an efficient process for the commercial production of Blonanserin substantially free from the chloro impurity and other impurities.