1-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethanone

Base Information

• Chemical Name: 1-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethanone
• CAS No.: 84162-82-3
• Molecular Formula: C14H15 F2 N O2
• Molecular Weight: 267.275
• European Community (EC) Number: 691-183-1
• DSSTox Substance ID: DTXSID70372387
• Wikidata: Q82160071
• Mol file: 84162-82-3.mol

Synonyms:84162-82-3;1-(4-(2,4-difluorobenzoyl)piperidin-1-yl)ethanone;4-(2',4'-Difluorobenzoyl)-1-acetylpiperidine;1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone;(1-acetylpiperidin-4-yl)(2,4-difluorophenyl)methanone;1-Acetyl-4-(2,4-difluorobenzoyl)piperidine;1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethan-1-one;F9995-0071;Maybridge3_006593;Piperidine, 1-acetyl-4-(2,4-difluorobenzoyl)-;Oprea1_341734;SCHEMBL1838212;C14H15F2NO2;DTXSID70372387;UGPWQEIGJWVJDR-UHFFFAOYSA-N;HMS1449L15;MFCD00179440;AKOS015957560;AB04407;AC-6744;IDI1_017980;BS-17609;4-(2,4-difluorobenzoyl)-1-acetylpiperidine;A5141;CS-0070916;FT-0638533;FT-0761629;1-acetyl-4-(2,4-difluorobenzoyl)-piperidine;4-(2,4-difluorobenzoyl)-1-acetyl-piperidine;VU0549281-1;A26704;EN300-235765;1-(4-(2,4-difluoro-benzoyl)piperidin-1-yl)ethanone;1-ACETYL-4-(2',4'-DIFLUOROBENZOYL)PIPERIDINE;1-[4-(2,4-difluorobenzoyl)-1-piperidinyl]-1-ethanone;Z1954801312;4-(2',4'-difluorobenzoyl)-1-acetylpiperidine, AldrichCPR;1-[4-(2,4-Difluoro-benzoyl)-piperidin-1-yl]-ethanone;1-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethanone

Chemical Property of 1-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethanone

Chemical Property:

• Melting Point: 97-98℃
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 267.10708505
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC(CC1)C(=O)C2=C(C=C(C=C2)F)F

Technology Process of 1-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethanone

There total 4 articles about 1-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethanone 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: 82.0%

→ 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride (84163-13-3) + 1-[4-(2.4-Difluoro-benzoyl)-piperidin-1-yl]-ethanone (84162-82-3)

Guidance literature:

Reference yield: 47.0%

1,3-Difluorobenzene (372-18-9) + 1-acetylpiperidine-4-carbonyl chloride (59084-16-1) → 1-[4-(2.4-Difluoro-benzoyl)-piperidin-1-yl]-ethanone (84162-82-3)

Guidance literature:

With aluminum (III) chloride; at 20 ℃; for 1.5h; Reflux;

Reference yield:

1-acetyl-piperidine-4-carboxylic acid (25503-90-6) → 1-[4-(2.4-Difluoro-benzoyl)-piperidin-1-yl]-ethanone (84162-82-3)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 1,2-dichloro-ethane / 0.33 h / 60 °C

2: AlCl₃ / 1,2-dichloro-ethane / 4 h / Heating

With aluminium trichloride; thionyl chloride; In 1,2-dichloro-ethane;

DOI:10.1002/jhet.5570300228

upstream raw materials:

1,3-Difluorobenzene

1-acetylpiperidine-4-carbonyl chloride

1-acetyl-piperidine-4-carboxylic acid

Downstream raw materials:

1-acetyl-4-(6-fluoro-2-methylbenzofuran-4-yl)piperidine

1-{4-[6-Fluoro-2-(4-fluoro-phenyl)-benzofuran-3-yl]-piperidin-1-yl}-ethanone

1-Acetyl-4-[2,4-di(piperidino)benzoyl]piperidine

6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride

Refernces

• 1、 -. "Preparation method of palmitic acid paliperidone intermediate". Paragraph 0025-0034. . Retrieved 2020/08/27.
• 2、 -. "NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS". Page/Page column 65. . Retrieved 2013/03/26.