223632-64-2

Basic information

• Product Name: 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one
• Synonyms: 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one
• CAS NO: 223632-64-2
• Molecular Weight: 255.676
• Mol File: 223632-64-2.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one(223632-64-2)
• EPA Substance Registry System: 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one(223632-64-2)

Safety Data

• Hazardous Substances Data: 223632-64-2(Hazardous Substances Data)

Usage

Chemical structure

Piperidin-4-one derivative with a chloro-fluoro substituted phenyl ring
The compound features a piperidine ring with a carbonyl group (C=O) attached to the 4th position and a phenyl ring substituted with a chlorine atom at the 3rd position and a fluorine atom at the 4th position.

Potential pharmaceutical applications

Building block for the synthesis of various pharmaceutical drugs
Due to its unique chemical structure, this compound can be used as a starting material for the development of new drugs in the pharmaceutical industry.

Industrial applications

Building block for the synthesis of various agrochemicals
The compound can also be used as a starting material for the development of new agrochemicals, such as pesticides and herbicides.

Chemical and physical properties

Valuable and versatile compound for a wide range of applications
The specific chemical and physical properties of this compound make it suitable for use in various industries, including pharmaceuticals, agrochemicals, and the production of organic compounds.

Importance as an intermediate

Used in the production of various organic compounds
1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one serves as an important intermediate in the synthesis of a variety of organic compounds, making it a valuable asset in the chemical industry.

Upstream product

• 403-16-7 3-chloro-4-fluorobenzoic acid 
• 41979-39-9 4-piperidone hydrochloride 
• 65055-17-6 3-chloro-4-fluorobenzoyl chloride 
• 177-11-7 4,4-ethylenedioxy-piperidine 

Downstream Products

• 208111-51-7 N-(3-chloro-4-fluorobenzoyl)-1-oxa-6-azaspiro<2,5>octane 
• 208111-36-8 N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-hydroxymethylpiperidine 
• 208111-39-1 N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-aminomethylpiperidine 
• 208110-64-9 (3-chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-methanone 
• 208111-37-9 N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-(4-methylphenylsulonuloxymethyl)-piperidine 
• 208111-38-0 N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-phthalimidomethylpiperidine 
• 208109-38-0 F 14679 

Relevant articles and documents

Novel Aryloxyethyl Derivatives of 1-(1-Benzoylpiperidin-4-yl)methanamine as the Extracellular Regulated Kinases 1/2 (ERK1/2) Phosphorylation-Preferring Serotonin 5-HT1A Receptor-Biased Agonists with Robust Antidepressant-like Activity

Novel 1-(1-benzoylpiperidin-4-yl)methanamine derivatives were designed as "biased agonists" of serotonin 5-HT1A receptors. The compounds were tested in signal transduction assays (ERK1/2 phosphorylation, cAMP inhibition, Ca2+ mobiliz

Conformational analysis and crystal structure of {[1-(3-chloro-4- fluorobenzoyl)-4-fluoropiperidin-4yl]methyl}[(5-methylpyridin-2-yl)methyl]amine, fumaric acid salt

{[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4yl]methyl} [(5-methylpyridin-2-yl)methyl]amine, fumaric acid salt (C20H 22ClF2N3O, C4H4O 4) (1) was synthesized and characterized by the complete 1H, 13C and 19F NMR analyses. The conformation of the piperidin ring, in the solution state, was particularly studied from the coupling constants determined by recording a double-quantum filtered COSY experiment in phase-sensitive mode. 1H NMR line-shape analysis was used, at temperatures varying between -5 and +60 °C, to determine the enthalpy of activation of the rotational barrier around the CN bond. Compound 1 crystallizes in the triclinic space group P1 with a = 8.517(3) A, b = 12.384(2) A, c = 12.472(3) A, α = 70.88(2)°, β = 82.04(2)°, γ = 83.58(2)°. The results strongly indicate that the solid and solution conformations are similar. Thermal stability and phases transitions were investigated by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Furthermore polymorphism screening was studied from recrystallization of 1 performed in seven solvents and by slurry conversion in water. The X-ray powder diffraction (XRPD) and differential scanning calorimetry results suggested that 1 crystallizes into one crystalline form which melts at 157 °C (ΔH = 132 J g-1).