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

Base Information

• Chemical Name: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
• CAS No.: 120944-12-9
• Molecular Formula: C22H21 F4 N3 O2
• Molecular Weight: 435.4147
• DSSTox Substance ID: DTXSID40153069
• Wikidata: Q83019894
• ChEMBL ID: CHEMBL72206

Synonyms:BRN 6545465;2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-;4-(4-Fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone;120944-12-9;CHEMBL72206;DTXSID40153069;C22H21F4N3O2;C22-H21-F4-N3-O2;LS-100839

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

Chemical Property:

• Density: 1.32g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 435.15698957
• Heavy Atom Count: 31
• Complexity: 668

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)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:

potassium cyanate (590-28-3) + 1-(4-Fluoro-phenyl)-2-hydroxy-4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butan-1-one (95217-32-6) → 4-(4-Fluoro-phenyl)-5-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-oxazol-2-one (120944-12-9)

Guidance literature:

With hydrogenchloride; In N,N-dimethyl-formamide; at 60 ℃; for 0.25h;

DOI:10.1021/jm00130a003

Reference yield:

phosgene (75-44-5) + 1-(4-Fluoro-phenyl)-2-hydroxy-4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butan-1-one (95217-32-6) → 4-(4-Fluoro-phenyl)-5-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3H-oxazol-2-one (120944-12-9)

Guidance literature:

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

DOI:10.1021/jm00130a003

upstream raw materials:

phosgene

1-(4-Fluoro-phenyl)-2-hydroxy-4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butan-1-one

potassium cyanate

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