4-Oxopiperidine-2-carboxylic acid

Base Information

• Chemical Name: 4-Oxopiperidine-2-carboxylic acid
• CAS No.: 7295-68-3
• Molecular Formula: C₆H₉NO₃
• Molecular Weight: 143.142
• DSSTox Substance ID: DTXSID70558144
• Nikkaji Number: J1.441.232H
• Mol file: 7295-68-3.mol

Synonyms:4-OXOPIPERIDINE-2-CARBOXYLIC ACID;7295-68-3;4-Oxo-piperidine-2-carboxylic acid;(2S)-4-Oxo-2-piperidinecarboxylic acid;4-oxopipecolic acid;4-oxo-pipecolic acid;SCHEMBL532127;DTXSID70558144;AKOS015856146;SB13909;SB13911;SB13913;4-OXOPIPERIDINE-2-CARBOXYLICACID

Chemical Property of 4-Oxopiperidine-2-carboxylic acid

Chemical Property:

• PSA: 66.40000
• LogP: -0.27910
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 143.058243149
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

4-Oxopiperidine-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(CC1=O)C(=O)O

Technology Process of 4-Oxopiperidine-2-carboxylic acid

There total 4 articles about 4-Oxopiperidine-2-carboxylic acid 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:

(5S)-2,2-bis(trifluoromethyl)-1-aza-3-oxabicyclo<4.3.0>nonan-4,7-dione (166042-96-2) → (2S)-4-oxopipecolic acid (65060-18-6,7295-68-3,894767-26-1)

Guidance literature:

With water; In isopropyl alcohol; Yield given; Ambient temperature;

DOI:10.1016/0040-4039(95)00183-D

Reference yield:

(S)-1-[(3aS,4S,6R,6aS)-6-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-4-oxo-piperidine-2-carboxylic acid ethyl ester (180675-05-2) → (2S)-4-oxopipecolic acid (65060-18-6,7295-68-3,894767-26-1)

Guidance literature:

Multi-step reaction with 2 steps

1: CF₃CO₂H / ethanol

2: 6N HCl

With hydrogenchloride; trifluoroacetic acid; In ethanol;

DOI:10.1016/0040-4039(96)00796-4

Reference yield:

(2S)-4-oxopiperidine-2-carboxylic acid ethyl ester (180675-07-4,51339-61-8) → (2S)-4-oxopipecolic acid (65060-18-6,7295-68-3,894767-26-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/0040-4039(96)00796-4

upstream raw materials:

(5S)-2,2-bis(trifluoromethyl)-1-aza-3-oxabicyclo<4.3.0>nonan-4,7-dione

(2S)-4-oxopiperidine-2-carboxylic acid ethyl ester

(S)-1-[(3aS,4S,6R,6aS)-6-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-4-oxo-piperidine-2-carboxylic acid ethyl ester

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