(E)-2-phenyl-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one

Base Information

• Chemical Name: (E)-2-phenyl-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one
• CAS No.: 68100-05-0
• Molecular Formula: C14H9NO2S
• Molecular Weight: 255.297
• NSC Number: 157354
• ChEMBL ID: CHEMBL1973744
• Mol file: 68100-05-0.mol

Synonyms:(E)-2-phenyl-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one;88991-45-1;68100-05-0;5(4H)-Oxazolone, 2-phenyl-4-(2-thienylmethylene)-, (E)-;NSC157354;CHEMBL1973744;SCHEMBL22500151;HMS558C01;STK873996;AKOS001486587;CCG-249687;NSC-157354;CS-0357355;SR-01000417461;SR-01000417461-1;Z31309211;F1425-0771;(4E)-2-phenyl-4-(2-thienylmethylene)-1,3-oxazol-5(4H)-one;(4E)-2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4H)-one;(4E)-2-phenyl-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

Chemical Property of (E)-2-phenyl-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one

Chemical Property:

• Vapor Pressure: 1.81E-06mmHg at 25°C
• Boiling Point: 395.6°C at 760 mmHg
• Flash Point: 193.1°C
• Density: 1.3g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 255.03539970
• Heavy Atom Count: 18
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)O2
• Isomeric SMILES: C1=CC=C(C=C1)C2=N/C(=C/C3=CC=CS3)/C(=O)O2

Technology Process of (E)-2-phenyl-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one

There total 12 articles about (E)-2-phenyl-4-(thiophen-2-ylmethylene)oxazol-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: 96.0%

thiophene-2-carbaldehyde (98-03-3) + Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) → 2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4 H)-one (68100-05-0)

Guidance literature:

With sodium acetate; acetic anhydride; for 2h; Reflux;

DOI:10.2174/1570180814666170412120555

Reference yield: 95.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + 2-(2-thienyl)-1-cyanoacrylonitrile (28162-32-5) → 2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4 H)-one (68100-05-0)

Guidance literature:

With sodium acetate; acetic anhydride; for 0.05h; Heating;

DOI:10.1002/jhet.938

Reference yield: 90.0%

thiophene-2-carbaldehyde (98-03-3) + sodium hippurate (532-94-5) → 2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4 H)-one (68100-05-0)

Guidance literature:

With sodium acetate; acetic anhydride; triethylamine sulfate; In neat (no solvent); at 90 ℃; Green chemistry;

DOI:10.1080/00397911.2017.1340649

upstream raw materials:

thiophene-2-carbaldehyde

Hippuric Acid

benzoyl chloride

C₂₇H₂₄NO₂PS

Downstream raw materials:

N-{5-Oxo-2-phenyl-4-[1-thiophen-2-yl-meth-(Z)-ylidene]-4,5-dihydro-imidazol-1-yl}-isonicotinamide

C₃₆H₂₄N₈O₂S₂

2-Phenyl-3-(2-phenyl-quinazolin-4-ylamino)-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-3,5-dihydro-imidazol-4-one

N-{(Z)-1-[N'-(2-Phenyl-quinazolin-4-yl)-hydrazinocarbonyl]-2-thiophen-2-yl-vinyl}-benzamide