2,5-Pyrrolidinedione, 1-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-

Base Information

• Chemical Name: 2,5-Pyrrolidinedione, 1-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-
• CAS No.: 1337926-16-5
• Molecular Formula: C₁₆H₁₈ClN₃O₃
• Molecular Weight: 335.79
• ChEMBL ID: CHEMBL1834295
• DSSTox Substance ID: DTXSID201144360
• Mol file: 1337926-16-5.mol

Synonyms:CHEMBL1834295;DTXSID201144360;2,5-Pyrrolidinedione, 1-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-;1337926-16-5

Chemical Property of 2,5-Pyrrolidinedione, 1-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 335.1036691
• Heavy Atom Count: 23
• Complexity: 475

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3Cl

Technology Process of 2,5-Pyrrolidinedione, 1-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-

There total 2 articles about 2,5-Pyrrolidinedione, 1-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]- 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:

N-(o-Chlorophenyl)piperazine (39512-50-0) + C9H9N3O3 → 1-{2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione (1337926-16-5)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1016/j.bmcl.2011.07.118

Reference yield:

2-(2,5-dioxopyrrolidin-1-yl)acetic acid (5626-41-5) → 1-{2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione (1337926-16-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 0.5 h / 20 °C

2: N,N-dimethyl-formamide / 24 h / 20 °C

In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2011.07.118

upstream raw materials:

N-(o-Chlorophenyl)piperazine

2-(2,5-dioxopyrrolidin-1-yl)acetic acid