1-(3-Chloro-4-fluorobenzoyl)piperidin-4-one

Base Information

• Chemical Name: 1-(3-Chloro-4-fluorobenzoyl)piperidin-4-one
• CAS No.: 223632-64-2
• Molecular Formula: C₁₂H₁₁ClFNO₂
• Molecular Weight: 255.676
• European Community (EC) Number: 677-638-7
• ChEMBL ID: CHEMBL4912452
• Mol file: 223632-64-2.mol

Synonyms:1-(3-chloro-4-fluorobenzoyl)piperidin-4-one;223632-64-2;N-(3-chloro-4-fluorobenzoyl)-piperidine-4-one;MFCD01465864;1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone;SCHEMBL5630460;CHEMBL4912452;FODGPXWJTNUVJU-UHFFFAOYSA-N;YIA63264;AKOS017547832;AS-65993;SY262830;CS-0047295;W15651;A1-02024

Chemical Property of 1-(3-Chloro-4-fluorobenzoyl)piperidin-4-one

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.0462344
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

1-(3-CHLORO-4-FLUORO-BENZOYL)-PIPERIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1=O)C(=O)C2=CC(=C(C=C2)F)Cl

Technology Process of 1-(3-Chloro-4-fluorobenzoyl)piperidin-4-one

There total 6 articles about 1-(3-Chloro-4-fluorobenzoyl)piperidin-4-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

4-piperidone hydrochloride (41979-39-9) + 3-chloro-4-fluorobenzoyl chloride (65055-17-6) → 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one (223632-64-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1.25h; Inert atmosphere;

Reference yield:

8-(3-chloro-4-fluorobenzoyl)-1,4-dioxa-8-azaspiro[4,5]decane → 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one (223632-64-2)

Guidance literature:

With formic acid; copper(II) sulfate; at 80 ℃; for 16h; Yield given;

DOI:10.1021/jm9806906

Reference yield:

3-chloro-4-fluorobenzoyl chloride (65055-17-6) → 1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one (223632-64-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H(+)

With hydrogen cation;

DOI:10.1016/j.saa.2005.01.002

upstream raw materials:

4,4-ethylenedioxy-piperidine

3-chloro-4-fluorobenzoyl chloride

4-piperidone hydrochloride

3-chloro-4-fluorobenzoic acid

Downstream raw materials:

N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-hydroxymethylpiperidine

N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-aminomethylpiperidine

(3-chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-methanone

N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-(4-methylphenylsulonuloxymethyl)-piperidine