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

Base Information

• Chemical Name: 2(3H)-Oxazolone, 3-ethyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
• CAS No.: 52867-95-5
• Molecular Formula: C₂₃H₂₆FN₃O₂
• Molecular Weight: 395.477
• DSSTox Substance ID: DTXSID30200894
• Wikidata: Q83074070
• ChEMBL ID: CHEMBL440682
• Mol file: 52867-95-5.mol

Synonyms:BRN 1175363;2(3H)-Oxazolone, 3-ethyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-;3-Ethyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone;52867-95-5;CHEMBL440682;DTXSID30200894;LS-100825

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

Chemical Property:

• Vapor Pressure: 3.33E-11mmHg at 25°C
• Boiling Point: 527.2°Cat760mmHg
• Flash Point: 272.6°C
• Density: 1.202g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 395.20090524
• Heavy Atom Count: 29
• Complexity: 589

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F

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

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

ethyl isocyanate (109-90-0) + 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone (51037-47-9) → 3-ethyl-4-(4-fluoro-phenyl)-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (52867-95-5)

Guidance literature:

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

DOI:10.1021/jm00130a003

Reference yield:

phosgene (75-44-5) + ethylamine (75-04-7,85404-22-4) + 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone (51037-47-9) → 3-ethyl-4-(4-fluoro-phenyl)-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (52867-95-5)

Guidance literature:

With triethylamine; Yield given. Multistep reaction; 1) CHCl₃, 0 deg C, 2 h, 2) 0 deg C to room temperature;

DOI:10.1021/jm00130a003

Reference yield:

→ 3-ethyl-4-(4-fluoro-phenyl)-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (52867-95-5)

Guidance literature:

entspr. α-Hydroxyketon, Phosgen, entspr. Amin;

upstream raw materials:

phosgene

ethylamine

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

ethyl isocyanate

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