4-Piperidone

Base Information

• Chemical Name: 4-Piperidone
• CAS No.: 41661-47-6
• Molecular Formula: C5H9NO
• Molecular Weight: 99.1326
• Hs Code.: 2933399090
• European Community (EC) Number: 255-481-1
• UNII: 15WP1EA7UH
• DSSTox Substance ID: DTXSID50194488
• Nikkaji Number: J16.026A
• Wikipedia: 4-Piperidinone
• Wikidata: Q3401775
• Mol file: 41661-47-6.mol

Synonyms:piperidin-4-one;4-Piperidone;4-Piperidinone;41661-47-6;15WP1EA7UH;EINECS 255-481-1;4-oxopiperidine;4-PIPERIDINON;4piperidone;4-oxo-piperidine;piperid-4-one;4-?PIPERIDINON;4-Piperidone, AldrichCPR;UNII-15WP1EA7UH;.GAMMA.-PIPERIDINONE;DTXSID50194488;BCP15157;STR10461;STK501631;AKOS005170706;SB10220;4-PIPERIDINON(monohydrate hydrochloride);AM803879;BB 0254373;CS-0053778;FT-0601149;EN300-34087;A22898;A825622;Q-200508;Q3401775;4-Piperidone hydrate hydrochloridE;4-Azacyclohexanone monohydrate hydrochloride;26266-70-6

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Chemical Property of 4-Piperidone

Chemical Property:

• Appearance/Colour: Colorless Liquid
• Vapor Pressure: 1.17mmHg at 25°C
• Refractive Index: 1.448
• Boiling Point: 175.1 °C at 760 mmHg
• PKA: 8.95±0.20(Predicted)
• Flash Point: 84.6 °C
• PSA: 29.10000
• Density: 1.001 g/cm³
• LogP: 0.26770
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.068413911
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

Safty Information:

• Statements: 11-20/21/22
• Safety Statements: 16-26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1CNCCC1=O
• Description: 4-Piperidinone is a derivative of piperidine with the molecular formula C5H9NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs.Piperidones are a class of chemical compounds sharing the piperidone skeleton. A classic named reaction for the synthesis of piperidones is the Petrenko-Kritschenko piperidone synthesis which involves combining an alkyl-1,3-acetonedicarboxylate with benzaldehyde and an amine. This multicomponent reaction is related to the Hantzsch pyridine synthesis.

Technology Process of 4-Piperidone

There total 33 articles about 4-Piperidone 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: 100.0%

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → piperidin-4-one (41661-47-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2009.11.056

Reference yield: 99.0%

benzyl 4-oxo-1-piperidinecarboxylate (19099-93-5) → piperidin-4-one (41661-47-6)

Guidance literature:

With hydrogen; palladium diacetate; pyrographite; In tetrahydrofuran; methanol; at 25 ℃; for 12h; under 760.051 Torr;

DOI:10.1002/chem.201001377

Reference yield: 97.0%

4-oxo-piperidine-1-carboxylic acid prop-2-ynyl ester (797751-17-8) → piperidin-4-one (41661-47-6)

Guidance literature:

With benzyltriethylammonium tetrathiomolybdate; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2004.09.018

upstream raw materials:

4-phenoxy-1,2,3,6-tetrahydro-pyridine

3,3'-imino-di-propionic acid diethyl ester

1-acetyl-4-oxo-piperidine-3-carboxylic acid ethyl ester

ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate

Downstream raw materials:

1-(2,6-difluorobenzoyl)piperidin-4-one

Refernces

• 1、 Bassetto, Marcella,Brancale, Andrea,Pasqualetto, Gaia,Pileggi, Elisa,Rozanowska, Malgorzata,Schepelmann, Martin,Varricchio, Carmine. "Ligand-based rational design, synthesis and evaluation of novel potential chemical chaperones for opsin". supporting information. . Retrieved 2021/09/24.
• 2、 -. "TEAD INHIBITORS AND USES THEREOF". Paragraph 00465; 00813. . Retrieved 2020/12/11.