2,5-Diphenyloxazole

Base Information

• Chemical Name: 2,5-Diphenyloxazole
• CAS No.: 92-71-7
• Molecular Formula: C15H11NO
• Molecular Weight: 221.258
• Hs Code.: 29349990
• European Community (EC) Number: 202-181-3
• NSC Number: 49168,24856
• UNII: 2P8A647RYF
• DSSTox Substance ID: DTXSID7059060
• Nikkaji Number: J37.305B
• Wikipedia: 2,5-Diphenyloxazole
• Wikidata: Q3597992
• Mol file: 92-71-7.mol

Synonyms:2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyloxazole

Chemical Property of 2,5-Diphenyloxazole

Chemical Property:

• Appearance/Colour: light beige solid
• Vapor Pressure: 4.74E-05mmHg at 25°C
• Melting Point: 72-74 °C(lit.)
• Refractive Index: 1.586
• Boiling Point: 359.998 °C
• PKA: 0.39±0.10(Predicted)
• Flash Point: 162.302 °C
• PSA: 26.03000
• Density: 1.128 g/cm³
• LogP: 4.00860
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: very faint turbidity in Methanol
• Water Solubility.: NEGLEGIBLE
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.084063974
• Heavy Atom Count: 17
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2,5-Diphenyloxazole [for scintillation spectrometry] >99.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 24/25-25-24-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Other Dyes
• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3
• Uses: PPO can be used as a dopant that improves the photo-electric feedback of plastic scintillators which are used as radiation detectors for nuclear materials. It can be coated on peptide substrates to facilitate radioactive labelling which can enable determination of substrate specificity of lysine methyltransferase enzymes. It may also be used in the fabrication of organic luminescent materials which can be used in light emitting diodes (LEDs).

Technology Process of 2,5-Diphenyloxazole

There total 140 articles about 2,5-Diphenyloxazole 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: 100.0%

C17H15NO3 → 2,5-diphenyloxazole (92-71-7)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In diethyl ether; dichloromethane; at -78 - 20 ℃; for 0.25h;

DOI:10.1055/s-0033-1339491

Reference yield: 96.7%

N-(2-oxo-2-phenylethyl)benzamide (4190-14-1) → 2,5-diphenyloxazole (92-71-7)

Guidance literature:

With sulfuric acid; at 30 - 100 ℃; Temperature; Large scale;

Reference yield: 93.0%

trans-phenyl(3-phenylaziridin-2-yl)methanone → 2,5-diphenyloxazole (92-71-7)

Guidance literature:

With N-Bromosuccinimide; In 1,4-dioxane; for 1h; Solvent; Reagent/catalyst; Temperature; Reflux;

DOI:10.1055/s-0034-1380518

upstream raw materials:

4-chloro-2,5-diphenyl-oxazole

2,5-diphenyl-oxazolidin-4-one

N-(2-oxo-2-phenylethyl)benzamide

phenylacetaldehyde

Downstream raw materials:

2-benzylamino-1-phenyl-ethanol

5-(4-nitrophenyl)-2-phenyloxazole

N-benzoyl-α-oxo-glyoxylamide

2,4-diphenyl-1H-imidazole

Refernces

• 1、 Padwa,Eisenhardt. "-". . p. 380. Retrieved 1968.
• 2、 Lin, Zeng-Hui,Tian, Ze-Yu,Zhang, Cheng-Pan. "Pd/Cu-Catalyzed C-H/C-H Cross Coupling of (Hetero)Arenes with Azoles through Arylsulfonium Intermediates". supporting information. p. 4400 - 4405. Retrieved 2021/06/27.