1-Benzylpiperidin-3-one hydrochloride

Base Information

• Chemical Name: 1-Benzylpiperidin-3-one hydrochloride
• CAS No.: 50606-58-1
• Molecular Formula: C12H16ClNO
• Molecular Weight: 225.718
• Hs Code.: 29333990
• European Community (EC) Number: 256-646-0
• DSSTox Substance ID: DTXSID60198654
• Mol file: 50606-58-1.mol

Synonyms:50606-58-1;1-Benzyl-3-piperidone Hydrochloride;1-benzylpiperidin-3-one hydrochloride;1-Benzylpiperidin-3-one, HCl;1-Benzyl-3-piperidinone hydrochloride;3-Piperidinone, 1-(phenylmethyl)-, hydrochloride;MFCD00012791;1-Benzyl-3-piperidone HCl hydrate;EINECS 256-646-0;1-(phenylmethyl)-3-piperidinone hydrochloride;1-BENZYLPIPERIDIN-3-ONE HCL;1-benzyl-3-piperidone hydrate hydrochloride;1-Benzyl-3-piperidone HCl;1-Benzyl-3-piperidinone HCl;SCHEMBL1243957;DTXSID60198654;OVWSFXNSJDMRPV-UHFFFAOYSA-N;BCP04561;1-benzylpiperidin-3-onehydrochloride;SC3111;1-benzylpiperidin-3-one;hydrochloride;AKOS005259740;1-benzyl-piperidin-3-one hydrochloride;CS-W009502;SB10201;AS-12347;SY018499;1-benzyl-piperidin-3-one hydrochloride salt;1(phenylmethyl)-3-piperidinone hydrochloride;A7506;AM20040582;B3419;EN300-37473;J-504285;Z381430294

Chemical Property of 1-Benzylpiperidin-3-one hydrochloride

Chemical Property:

• Appearance/Colour: cream to pale brown powder
• Vapor Pressure: 0.00161mmHg at 25°C
• Melting Point: 170 °C
• Boiling Point: 294.6 °C at 760 mmHg
• Flash Point: 123.3 °C
• PSA: 29.54000
• LogP: 2.52710
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 225.0920418
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

98.0%Min ^*data from raw suppliers

1-Benzyl-3-piperidinoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 22-24/25-37/39-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CN(C1)CC2=CC=CC=C2.Cl
• Uses: 1-Benzyl-3-piperidone hydrochloride hydrate was used to prepare 7-Benzyl-3-(phenylthio)-1-oxa-4,7-diazaspiro[4.5]dec-3-en-2-one.

Technology Process of 1-Benzylpiperidin-3-one hydrochloride

There total 1 articles about 1-Benzylpiperidin-3-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:

→ N-benzyl-3-piperidinone hydrochloride (50606-58-1)

Guidance literature:

Konnte nach der Angabe von Iselin, Hoffmann, Helv. 37 <1954> 178 aus N-Benzyl-4-carbethoxy-3-piperidon nicht erhalten werden; es wurde stattdessen N-Benzyl-3-dihydroxypiperidin-hydrochlorid-hydrat isoliert;

Reference yield: 99.0%

N-benzyl-3-piperidinone hydrochloride (50606-58-1) → 1-benzyl-3-piperidone (40114-49-6)

Guidance literature:

With potassium carbonate; In water; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2009.09.107

Reference yield: 96.0%

trimethylsilyl cyanide (7677-24-9) + N-benzyl-3-piperidinone hydrochloride (50606-58-1) → 1-benzyl-3-hydroxypiperidine-3-carboxamide

Guidance literature:

N-benzyl-3-piperidinone hydrochloride; With triethylamine; In dichloromethane; for 0.25h;

trimethylsilyl cyanide; In dichloromethane; for 48h;

With sulfuric acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1007/s00044-020-02548-x

Downstream raw materials:

1-Benzyl-3,3-(ethylenedioxy)piperidine

N-(benzyloxycarbonyl)-3-piperidone

1-benzyl-3-(phenylamino)piperidine-3-carbonitrile

1-benzyl-3-hydroxypiperidine