Ethyl 4-oxopiperidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 4-oxopiperidine-3-carboxylate
• CAS No.: 67848-59-3
• Molecular Formula: C8H13NO3
• Molecular Weight: 171.196
• European Community (EC) Number: 225-073-8
• DSSTox Substance ID: DTXSID90276035
• Nikkaji Number: J292.598B
• Mol file: 67848-59-3.mol

Synonyms:67848-59-3;Ethyl 4-oxopiperidine-3-carboxylate;4-Oxo-piperidine-3-carboxylic acid ethyl ester;3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester;3-carbethoxy-4piperidone;3-carbethoxy-4-piperidone;3-carbethoxy-4-oxopiperidine;SCHEMBL415009;DTXSID90276035;Ethyl4-oxopiperidine-3-carboxylate;AB1566;MFCD00044487;STL137713;AKOS005716018;SB38274;AM804222;BB 0259863;CS-0377053;FT-0619349;EN300-119754;A835906

Chemical Property of Ethyl 4-oxopiperidine-3-carboxylate

Chemical Property:

• Boiling Point: 265.5 °C at 760 mmHg
• Flash Point: 114.4 °C
• PSA: 55.40000
• Density: 1.118 g/cm³
• LogP: 0.05690
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

90.0%Min ^*data from raw suppliers

4-Oxo-piperidine-3-carboxylicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1CNCCC1=O

Technology Process of Ethyl 4-oxopiperidine-3-carboxylate

There total 1 articles about Ethyl 4-oxopiperidine-3-carboxylate 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: 98.0%

C9H14O3NC6H5 (41276-30-6) → 4-piperidone-3-carboxylic acid ethyl ester (67848-59-3)

Guidance literature:

With hydrogen; In acetonitrile; at 45 - 50 ℃; for 4h; under 2250.23 - 3000.3 Torr; Autoclave;

Reference yield:

4-piperidone-3-carboxylic acid ethyl ester (67848-59-3) + Benzoyl bromide (618-32-6) → C9H14O3NC6H5 (41276-30-6)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 50 ℃; for 2h;

DOI:10.1016/j.bmcl.2016.07.013

Reference yield:

4-piperidone-3-carboxylic acid ethyl ester (67848-59-3) → 4-hydroxynicotinic acid (609-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dihydrogen peroxide; hydrogen bromide / dichloromethane / 5 h / 40 - 45 °C

2.1: potassium carbonate / methanol / 3 h / 40 - 45 °C

2.2: 2 h / 20 - 35 °C

With hydrogen bromide; dihydrogen peroxide; potassium carbonate; In methanol; dichloromethane;

upstream raw materials:

C₉H₁₄O₃NC₆H₅

Downstream raw materials:

4-(4-chloro-phenyl)-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

4-(4-fluoro-phenyl)-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester