1-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-2,5-pyrrolidinedione

Base Information

• Chemical Name: 1-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-2,5-pyrrolidinedione
• CAS No.: 135705-03-2
• Molecular Formula: C16H19N5O2
• Molecular Weight: 313.35
• DSSTox Substance ID: DTXSID80159500
• Nikkaji Number: J419.162E
• Wikidata: Q83027830
• Mol file: 135705-03-2.mol

Synonyms:135705-03-2;BRN 4824286;1-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-2,5-pyrrolidinedione;2,5-Pyrrolidinedione, 1-(4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-butynyl)-;1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]pyrrolidine-2,5-dione;DTXSID80159500;JYZDVMAKJSAKIG-UHFFFAOYSA-N;LS-137716;2,5-Pyrrolidinedione,1-(4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-butynyl)-;1-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]-2-butynyl]-1H-pyrrole-2,5(3H,4H)-dione

Chemical Property of 1-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-2,5-pyrrolidinedione

Chemical Property:

• Vapor Pressure: 1.49E-13mmHg at 25°C
• Boiling Point: 582.4°Cat760mmHg
• Flash Point: 306°C
• PSA: 69.64000
• Density: 1.295g/cm³
• LogP: -0.30820
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 313.15387487
• Heavy Atom Count: 23
• Complexity: 493

Purity/Quality:

99% ^*data from raw suppliers

1-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)-2-BUTYNYL)-2,5-PYRROLIDINEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)CC#CCN2CCN(CC2)C3=NC=CC=N3

Technology Process of 1-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-2,5-pyrrolidinedione

There total 1 articles about 1-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-2,5-pyrrolidinedione 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: 76.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-(2-pyridinyl)piperazine (20980-22-7) + 1-(prop-2-yn-1-yl)pyrrolidine-2,5-dione (10478-33-8) → 1-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-but-2-ynyl]-pyrrolidine-2,5-dione (135705-03-2)

Guidance literature:

With copper(l) chloride; In 1,4-dioxane; for 2h; Heating;

DOI:10.1007/BF00772021

upstream raw materials:

formaldehyd

N-(2-pyridinyl)piperazine

1-(prop-2-yn-1-yl)pyrrolidine-2,5-dione