Piperidin-4-one hydrochloride

Base Information

• Chemical Name: Piperidin-4-one hydrochloride
• CAS No.: 41979-39-9
• Molecular Formula: C5H10ClNO
• Molecular Weight: 135.594
• Hs Code.: 2933399090
• European Community (EC) Number: 255-602-8
• NSC Number: 134482
• UNII: 2W5F39Q3L8
• DSSTox Substance ID: DTXSID40194790
• Mol file: 41979-39-9.mol

Synonyms:piperidin-4-one hydrochloride;41979-39-9;4-piperidone hydrochloride;4-Oxopiperidinium chloride;4-piperidinone hydrochloride;piperidin-4-one, HCl;4-piperidone HCl;4-Oxopiperidine hydrochloride;Piperidin-4-one (Hydrochloride);2W5F39Q3L8;EINECS 255-602-8;piperidin-4-one;hydrochloride;UNII-2W5F39Q3L8;MFCD00041019;NSC 134482;NSC-134482;Piperidin-4-one;HCl;4-piperidone HCl salt;C5H9NO.ClH;4-piperidone-hydrochloride;piperidin-4-one HCl salt;4-Piperidinonehydrochloride;4-piperdinone hydrochloride;4-Pieridonemonohydrochloride;4-piperidone, hydrochloride;piperidin-4-onehydrochloride;PIPERIDIN-4-ONE HCL;4-Ketopiperidine hydrochloride;C5-H9-N-O.Cl-H;SCHEMBL158082;piperidine-4-one hydrochloride;piperidin-4-one hydro-chloride;4-piperidone mono-hydrochloride;DTXSID40194790;GJQNVZVOTKFLIU-UHFFFAOYSA-N;AB2978;NSC134482;4-PIPERIDONE MONOHYDROCHLORIDE;AKOS005254379;CS-W020094;PB32095;AC-30748;AM100807;DS-15153;PD057830;SY107185;FT-0679171;4-PIPERIDINONE, HYDROCHLORIDE (1:1);EN300-30129;A872962;W-106289;F8880-8200;Z1741959513

Chemical Property of Piperidin-4-one hydrochloride

Chemical Property:

• Melting Point: 145.5-147 °C(Solv: acetonitrile (75-05-8))
• Boiling Point: 175.1 °C at 760 mmHg
• Flash Point: 84.6 °C
• PSA: 33.68000
• Density: 1.001 g/cm³
• LogP: -2.51410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 135.0450916
• Heavy Atom Count: 8
• Complexity: 72.1

Purity/Quality:

99% ^*data from raw suppliers

Piperidin-4-one hydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1=O.Cl
• Uses: 4-oxopiperidinium chloride is a useful research chemical.

Technology Process of Piperidin-4-one hydrochloride

There total 6 articles about Piperidin-4-one hydrochloride 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) → 4-piperidone hydrochloride (41979-39-9)

Guidance literature:

With hydrogenchloride; In methanol; at 0 - 20 ℃;

Reference yield: 97.0%

1-phenylmethyl-4-piperidone (3612-20-2) → 4-piperidone hydrochloride (41979-39-9)

Guidance literature:

With hydrogenchloride; hydrogen; palladium dihydroxide; In ethanol; at 20 ℃; for 24h; under 3102.89 Torr;

DOI:10.1002/ardp.200300721

Reference yield: 62.0%

3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene → 4-piperidone hydrochloride (41979-39-9)

Guidance literature:

3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene; With pyridine; Dess-Martin periodane; In dichloromethane; at 20 ℃; for 72h;

With trifluoroacetic acid; In dichloromethane; at 0 ℃;

With hydrogenchloride; In dichloromethane; Further stages.;

DOI:10.1016/j.tet.2003.10.091

upstream raw materials:

1-phenylmethyl-4-piperidone

N-tert-butyloxycarbonylpiperidin-4-one

piperidine-4,4-diol hydrochloride

Downstream raw materials:

5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole

1-(4-nitrophenyl)piperidin-4-one

1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-4-one

N-tosyl-4-piperidone

Refernces

• 1、 -. "QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF". Paragraph 00633-00634. . Retrieved 2020/10/09.
• 2、 -. "LSD1 Inhibitors". Paragraph 0435; 0436. . Retrieved 2017/07/14.