Ethyl 3-piperidinecarboxylate hydrochloride

Base Information

• Chemical Name: Ethyl 3-piperidinecarboxylate hydrochloride
• CAS No.: 4842-86-8
• Molecular Formula: C8H15NO2^.HCl
• Molecular Weight: 193.674
• DSSTox Substance ID: DTXSID30512500
• Mol file: 4842-86-8.mol

Synonyms:4842-86-8;ethyl 3-piperidinecarboxylate hydrochloride;Ethyl Piperidine-3-carboxylate hydrochloride;ethyl nipecotate hydrochloride;ethyl piperidine-3-carboxylate;hydrochloride;Ethyl piperidine-3-carboxylate HCl;ethyl piperidine-3-carboxylate, HCl;3-Piperidinecarboxylic acid, ethyl ester, hydrochloride (1:1);Ethyl3-piperidinecarboxylicesterhydrochloride;SCHEMBL205293;3-PIPERIDINE CARBOXYLIC ACID ETHYL ESTER HCL;DTXSID30512500;ZCEGLOKZSLNARG-UHFFFAOYSA-N;MFCD09032960;AKOS015897780;SB42928;SB45100;AC-32104;AS-18376;A7339;AM20100199;CS-0042815;FT-0630284;FT-0657121;J-520908;(R)-Piperidine-3-CarboxylicAcidEthylEsterHydrochloride;piperidine-3-carboxylic acid ethyl ester hydrochloride;Ethyl piperidine-3-carboxylate--hydrogen chloride (1/1)

Chemical Property of Ethyl 3-piperidinecarboxylate hydrochloride

Chemical Property:

• Melting Point: 100-102°C
• Boiling Point: 254 °C at 760 mmHg
• Flash Point: 107.4 °C
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.0869564
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

98% ^*data from raw suppliers

Ethyl piperidine-3-carboxylate hydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCNC1.Cl

Technology Process of Ethyl 3-piperidinecarboxylate hydrochloride

There total 4 articles about Ethyl 3-piperidinecarboxylate 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%

ethanol (64-17-5) + nipecotic acid (498-95-3,262853-93-0) → ethyl piperidine-3-carboxylate hydrochloride (4842-86-8,37675-19-7)

Guidance literature:

With thionyl chloride; at 0 ℃; Reflux;

Reference yield: 94.0%

ethyl 1-methylpiperidine-3-carboxylate (5166-67-6) → ethyl piperidine-3-carboxylate hydrochloride (4842-86-8,37675-19-7)

Guidance literature:

With aluminum oxide; silica gel; potassium carbonate; sodium percarbonate; sodium salt of 2,4-dichloro-6-hydroxy-1,3,5-triazine; In chloroform; column chromatography;

DOI:10.1021/ol036319g

Reference yield: 75.0%

3-pyridinecarboxylic acid ethyl ester (614-18-6) → ethyl piperidine-3-carboxylate hydrochloride (4842-86-8,37675-19-7)

Guidance literature:

3-pyridinecarboxylic acid ethyl ester; With N,N,N,N,N,N-hexamethylphosphoric triamide; In dichloromethane; at 25 ℃; for 0.166667h; Inert atmosphere;

With trichlorosilane; In dichloromethane; at 25 ℃; for 24h; Inert atmosphere;

DOI:10.3390/molecules24030401

upstream raw materials:

ethyl 1-methylpiperidine-3-carboxylate

ethanol

nipecotic acid

ethyl N-(t-butyloxycarbonyl)nipecotate

Downstream raw materials:

1-(2-Chloro-benzenesulfonyl)-piperidine-3-carboxylic acid ethyl ester