Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((4-methyl-1-piperazinyl)methyl)-7-phenyl-

Base Information

• Chemical Name: Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((4-methyl-1-piperazinyl)methyl)-7-phenyl-
• CAS No.: 165611-03-0
• Molecular Formula: C₁₈H₂₀N₆O₂
• Molecular Weight: 352.396
• DSSTox Substance ID: DTXSID50167995
• Nikkaji Number: J647.836K
• Wikidata: Q83037510
• Mol file: 165611-03-0.mol

Synonyms:3-Carbamido-5-(4'-methylpiperazinomethyl)-7-phenylisoxazolo(4,5-d)pyrimidine;Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((4-methyl-1-piperazinyl)methyl)-7-phenyl-;5-((4-Methyl-1-piperazinyl)methyl)-7-phenylisoxazolo(4,5-d)pyrimidine-3-carboxamide;165611-03-0;DTXSID50167995;LS-86801

Chemical Property of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((4-methyl-1-piperazinyl)methyl)-7-phenyl-

Chemical Property:

• Vapor Pressure: 6.52E-12mmHg at 25°C
• Boiling Point: 544.4°Cat760mmHg
• Flash Point: 283.1°C
• Density: 1.317g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 352.16477390
• Heavy Atom Count: 26
• Complexity: 492

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC2=NC3=C(C(=N2)C4=CC=CC=C4)ON=C3C(=O)N

Technology Process of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((4-methyl-1-piperazinyl)methyl)-7-phenyl-

There total 1 articles about Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((4-methyl-1-piperazinyl)methyl)-7-phenyl- 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: 78.0%

1-methyl-piperazine (109-01-3) + 3-carbamido-5-chloromethyl-7-phenylisoxazolo<4,5-d>pyrimidine (165611-01-8) → 3-carbamido-5-(4'-methylpiperazino)methyl-7-phenylisoxazolo<4,5-d>pyrimidine (165611-03-0)

Guidance literature:

With KJ; In toluene; at 80 ℃; for 8h;

upstream raw materials:

1-methyl-piperazine

3-carbamido-5-chloromethyl-7-phenylisoxazolo<4,5-d>pyrimidine