2(3H)-Oxazolone, 4-(4-fluorophenyl)-3-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-

Base Information

• Chemical Name: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-3-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
• CAS No.: 120944-32-3
• Molecular Formula: C₂₇H₂₆FN₃O₂
• Molecular Weight: 443.521
• DSSTox Substance ID: DTXSID60153086
• Wikidata: Q83019920
• ChEMBL ID: CHEMBL307791

Synonyms:BRN 1186984;2(3H)-Oxazolone, 4-(4-fluorophenyl)-3-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-;4-(4-Fluorophenyl)-3-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone;120944-32-3;CHEMBL307791;C27H26FN3O2;DTXSID60153086;C27-H26-F-N3-O2;LS-100833

Chemical Property of 2(3H)-Oxazolone, 4-(4-fluorophenyl)-3-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-

Chemical Property:

• Vapor Pressure: 1.18E-13mmHg at 25°C
• Boiling Point: 584.6°C at 760 mmHg
• Flash Point: 307.4°C
• Density: 1.247g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 443.20090524
• Heavy Atom Count: 33
• Complexity: 686

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCC2=C(N(C(=O)O2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C5=CC=CC=C5

Technology Process of 2(3H)-Oxazolone, 4-(4-fluorophenyl)-3-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-

There total 2 articles about 2(3H)-Oxazolone, 4-(4-fluorophenyl)-3-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)- 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:

phenyl isocyanate (103-71-9) + 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone (51037-47-9) → 4-(4-fluoro-phenyl)-3-phenyl-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (120944-32-3)

Guidance literature:

With acetic acid; Multistep reaction; 1) 100 deg C, 2 h, 2) reflux, 1 h;

DOI:10.1021/jm00130a003

Reference yield:

→ 4-(4-fluoro-phenyl)-3-phenyl-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (120944-32-3)

Guidance literature:

entspr. Hydroxyketon, entspr. Isocyanat;

upstream raw materials:

phenyl isocyanate

1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone

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