4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one

Base Information

• Chemical Name: 4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one
• CAS No.: 69015-75-4
• Molecular Formula: C17H13 N O2
• Molecular Weight: 263.296
• NSC Number: 351964
• DSSTox Substance ID: DTXSID50419562
• Nikkaji Number: J340.572I,J3.138.727B
• Wikidata: Q82230615
• ChEMBL ID: CHEMBL1975562
• Mol file: 69015-75-4.mol

Synonyms:NSC351964;69015-75-4;SCHEMBL7414383;SCHEMBL7414386;CHEMBL1975562;DTXSID50419562;NSC-351964;4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one;4-[(Z)-1-Phenylethylidene]-2-phenyloxazol-5(4H)-one

Chemical Property of 4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one

Chemical Property:

• Vapor Pressure: 2.04E-06mmHg at 25°C
• Boiling Point: 394°C at 760 mmHg
• Flash Point: 172.3°C
• Density: 1.15g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 263.094628657
• Heavy Atom Count: 20
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: C/C(=C/1\C(=O)OC(=N1)C2=CC=CC=C2)/C3=CC=CC=C3

Technology Process of 4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one

There total 11 articles about 4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one 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: 66.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + acetophenone (98-86-2) → (Z)-2-phenyl-4-(α-phenylethylidene)-5-(4H)-oxazolone (69015-75-4)

Guidance literature:

With acetic anhydride; palladium diacetate; for 0.1h; microwave irradiation;

DOI:10.1515/HC.2006.12.1.29

Reference yield: 48.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + (4Z)-4-benzylidene-2-phenyl-1,3-oxazol-5(4H)-one (17606-70-1,5839-91-8) → (Z)-2-phenyl-4-(α-phenylethylidene)-5-(4H)-oxazolone (69015-75-4) + (E)-(1,5-diphenyl)-7-oxo-6-oxa-4-azaspiro<2.4>hept-4-ene (4525-04-6,64283-23-4,64283-24-5,66108-19-8,66108-20-1) + (Z)-(1,5-diphenyl)-7-oxo-6-oxa-4-azaspiro<2.4>hept-4-ene (4525-04-6,64283-23-4,64283-24-5,66108-19-8,66108-20-1)

Guidance literature:

In tetrahydrofuran; diethyl ether;

Reference yield: 46.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + acetophenone (98-86-2) → (E)-2-phenyl-4-(α-phenylethylidene)-5-(4H)-oxazolone (57427-91-5) + (Z)-2-phenyl-4-(α-phenylethylidene)-5-(4H)-oxazolone (69015-75-4)

Guidance literature:

With lead(IV) tetraacetate; acetic anhydride; In tetrahydrofuran; for 24h; Heating;

upstream raw materials:

Hippuric Acid

acetophenone

diazomethane

(4Z)-4-benzylidene-2-phenyl-1,3-oxazol-5(4H)-one

Downstream raw materials:

(E)-2-phenyl-4-(α-phenylethylidene)-5-(4H)-oxazolone

(Z)-N-benzoyl-β-methyldidehydrophenylalanine methyl ester

(+)-<(Z)-N-benzoyl-β-methyldidehydrophenylalanyl>-L-phenylalanine

(Z)-2-Benzoylamino-3-phenyl-but-2-enoic acid