1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester

Base Information

• Chemical Name: 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester
• CAS No.: 164468-02-4
• Molecular Formula: C₁₃H₁₈N₄O₃
• Molecular Weight: 278.311
• DSSTox Substance ID: DTXSID00167763
• Nikkaji Number: J642.479A
• Wikidata: Q83037213
• Mol file: 164468-02-4.mol

Synonyms:Ethyl beta-oxo-4-(2-pyrimidinyl)-1-piperazinepropanoate;1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester;Ethyl 3-(4-(2-pyrimidinyl)-1-piperazinyl)-3-oxopropanoate;3-(4-(2-Pyrimidinyl)-1-piperazinyl)-3-oxopropionsaure ethylester [German];164468-02-4;3-(4-(2-Pyrimidinyl)-1-piperazinyl)-3-oxopropionsaure ethylester;DTXSID00167763;LS-113270

Chemical Property of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester

Chemical Property:

• Vapor Pressure: 8.19E-10mmHg at 25°C
• Boiling Point: 491.7°Cat760mmHg
• Flash Point: 251.2°C
• Density: 1.245g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 278.13789045
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)N1CCN(CC1)C2=NC=CC=N2

Technology Process of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester

There total 1 articles about 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester 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: 71.0%

N-(2-pyridinyl)piperazine (20980-22-7) + diethyl malonate (105-53-3) → ethyl 3-<4-(2-pyrimidyl)-1-piperazinyl>-3-oxopropanoate (164468-02-4)

Guidance literature:

at 80 ℃; for 24h;

DOI:10.1002/ardp.19953280218

upstream raw materials:

N-(2-pyridinyl)piperazine

diethyl malonate

Refernces