Piperidin-3-one

Base Information

• Chemical Name: Piperidin-3-one
• CAS No.: 50717-82-3
• Molecular Formula: C₅H₉NO
• Molecular Weight: 99.1326
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00275059
• Nikkaji Number: J1.130.542C
• Wikidata: Q72500526
• Mol file: 50717-82-3.mol

Synonyms:piperidin-3-one;3-Piperidinone;50717-82-3;3-piperidone;74279-87-1;3-ketopiperidine;DTXSID00275059;USISRUCGEISZIB-UHFFFAOYSA-N;BCP23213;AKOS005258668;AB27650;AM81341;BB 0253437;CS-0053779;FT-0650085;Piperidin-3-one( Hydrochloride Hydrate form);A25824;EN300-112865

Chemical Property of Piperidin-3-one

Chemical Property:

• Vapor Pressure: 0.958mmHg at 25°C
• Refractive Index: 1.449
• Boiling Point: 179.092 °C at 760 mmHg
• PKA: 7.94±0.20(Predicted)
• Flash Point: 87.2 °C
• PSA: 29.10000
• Density: 1.001 g/cm³
• LogP: 0.26770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.068413911
• Heavy Atom Count: 7
• Complexity: 80.1

Purity/Quality:

99% ^*data from raw suppliers

3-Piperidinone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CNC1

Technology Process of Piperidin-3-one

There total 1 articles about Piperidin-3-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:

piperidine (110-89-4) → piperidin-2-one (675-20-7) + piperidin-4-one (41661-47-6) + piperidin-3-one (50717-82-3,74279-87-1,74279-88-2)

Guidance literature:

With hydrogenchloride; FeH₆Mo₆O₂₄^(3-)*3H₃N*3H⁽¹⁺⁾*7H₂O; tetrabutylammomium bromide; dihydrogen peroxide; In 1,4-dioxane; water; at 85 ℃; for 24h;

DOI:10.1039/c9cc03939b

Reference yield: 93.7%

piperidin-3-one (50717-82-3,74279-87-1,74279-88-2) → 3-HYDROXYPYRIDINE (109-00-2)

Guidance literature:

With hydrogen bromide; bromine; In dichloromethane; at -35 - 35 ℃; for 5h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + piperidin-3-one (50717-82-3,74279-87-1,74279-88-2) → 3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 2h; Yield given;

DOI:10.1021/jm00152a010

upstream raw materials:

piperidine

Downstream raw materials:

3-oxo-piperidine-1-carboxylic acid tert-butyl ester

(1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexylamine

{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-carbamic acid benzyl ester

Refernces