Methyl 2-oxopiperidine-3-carboxylate

Base Information

• Chemical Name: Methyl 2-oxopiperidine-3-carboxylate
• CAS No.: 106118-94-9
• Molecular Formula: C₇H₁₁NO₃
• Molecular Weight: 157.169
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID20398370
• Mol file: 106118-94-9.mol

Synonyms:methyl 2-oxopiperidine-3-carboxylate;106118-94-9;2-Oxo-piperidine-3-carboxylic acid methyl ester;TimTec1_006136;SCHEMBL2789189;DTXSID20398370;BLSIWVNWHCXOCL-UHFFFAOYSA-N;HMS1551G20;methyl2-oxopiperidine-3-carboxylate;Methyl 2-oxo-3-piperidinecarboxylate;MFCD03410215;STK772130;AKOS001752186;SB42951;AS-67557;CS-0044685;2-Oxopiperidine-3-carboxylic acid, methyl ester;EN300-1228699

Chemical Property of Methyl 2-oxopiperidine-3-carboxylate

Chemical Property:

• PSA: 58.89000
• LogP: -0.03850
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.07389321
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-oxopiperidine-3-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCNC1=O

Technology Process of Methyl 2-oxopiperidine-3-carboxylate

There total 1 articles about Methyl 2-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: 86.0%

dimethyl (2-azidoethyl)malonate → 3-(methoxycarbonyl)-2-piperidone (106118-94-9)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; Ambient temperature;

DOI:10.1016/S0040-4039(86)80040-5

Reference yield:

3-(methoxycarbonyl)-2-piperidone (106118-94-9) → 3-(benzyloxymethyl)-3-(4-pentenyl)-1-(1-oxo-7-octenyl)-piperidine

Guidance literature:

Multi-step reaction with 4 steps

1.1: tetra-(n-butyl)ammonium iodide; sodium hydride / N,N-dimethyl-formamide; mineral oil

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / Inert atmosphere; Reflux

3.1: potassium carbonate / chloroform / 1.5 h / 20 °C

4.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 1 h / 0 °C / Inert atmosphere

4.2: 4 h / 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; tetra-(n-butyl)ammonium iodide; sodium hydride; potassium carbonate; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/ol301672y

Reference yield:

3-(methoxycarbonyl)-2-piperidone (106118-94-9) → 3-(benzyloxymethyl)-3-(3-butenyl)-1-(1-oxo-7-octenyl)piperidine

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 1 h / 0 °C

1.2: 4 h / 20 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Inert atmosphere; Reflux

3.1: potassium carbonate / dichloromethane / 3 h / 20 °C

4.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 1 h / 0 °C / Inert atmosphere

4.2: 4 h / 20 °C

With lithium aluminium tetrahydride; sodium hydride; potassium carbonate; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/ol301672y