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

Base Information

• Chemical Name: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
• CAS No.: 52867-87-5
• Molecular Formula: C21H22 F N3 O2
• Molecular Weight: 367.4167
• DSSTox Substance ID: DTXSID10200892
• Wikidata: Q83074067
• ChEMBL ID: CHEMBL69787
• Mol file: 52867-87-5.mol

Synonyms:BRN 1170688;2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-;4-(4-Fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone;52867-87-5;CHEMBL69787;C21H22FN3O2;DTXSID10200892;LS-100834

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.239g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 367.16960512
• Heavy Atom Count: 27
• Complexity: 546

Purity/Quality:

99% ^*data from raw suppliers

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

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

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

potassium cyanate (590-28-3) + 1-(4-fluorophenyl)-2-hydroxy-4-(4-phenyl-1-piperazinyl)-1-butanone (51037-47-9) → 4-(4-fluoro-phenyl)-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (52867-87-5)

Guidance literature:

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

DOI:10.1021/jm00130a003

Reference yield:

→ 4-(4-fluoro-phenyl)-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (52867-87-5)

Guidance literature:

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

Reference yield:

4-(4-fluoro-phenyl)-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (52867-87-5) + acetyl chloride (75-36-5) → 3-acetyl-4-(4-fluoro-phenyl)-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-oxazol-2-one (52868-03-8)

Guidance literature:

With pyridine; at 80 ℃; for 3h;

DOI:10.1021/jm00130a003

upstream raw materials:

potassium cyanate

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

Downstream raw materials:

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

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

4-(4-fluoro-phenyl)-2-oxo-5-[2-(4-phenyl-piperazin-1-yl)-ethyl]-oxazole-3-carboxylic acid methylamide

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