2,4-Diphenyloxazole

Base Information

• Chemical Name: 2,4-Diphenyloxazole
• CAS No.: 838-41-5
• Molecular Formula: C15H11 N O
• Molecular Weight: 221.258
• Hs Code.: 2934999090
• European Community (EC) Number: 248-808-4
• NSC Number: 126384
• DSSTox Substance ID: DTXSID101033702
• Nikkaji Number: J122.153A
• Wikidata: Q83053008
• Mol file: 838-41-5.mol

Synonyms:2,4-Diphenyloxazole;838-41-5;Diphenyloxazole;2,4-Diphenyl-1,3-oxazole;Oxazole, 2,4-diphenyl-;28061-11-2;EINECS 248-808-4;Oxazole, diphenyl-;Oxazole,4-diphenyl-;2,4-diphenyl-oxazole;SCHEMBL278182;2,4-Diphenyl-1,3-oxazole #;VUPXKQHLZATXTR-UHFFFAOYSA-;DTXSID101033702;MFCD00016890;NSC126384;AKOS025394857;NSC-126384;WS-01246;CS-0330960;D0901;FT-0737430;T71374

Chemical Property of 2,4-Diphenyloxazole

Chemical Property:

• Vapor Pressure: 0.000186mmHg at 25°C
• Melting Point: 105 °C
• Refractive Index: 1.6231 (estimate)
• Boiling Point: 340 °C
• Flash Point: 162.3°C
• PSA: 26.03000
• Density: 1.128g/cm³
• LogP: 4.00860
• XLogP3: 3.7
• 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:

98%,99%, ^*data from raw suppliers

2,4-Diphenyloxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC=C(C=C1)C2=COC(=N2)C3=CC=CC=C3

Technology Process of 2,4-Diphenyloxazole

There total 54 articles about 2,4-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: 99.0%

2,4-diphenyl-4,5-dihydro-1,3-oxazole (81187-69-1) → 2,4-diphenyl-1,3-oxazole (838-41-5)

Guidance literature:

With [bis(acetoxy)iodo]benzene; cesium iodide; In toluene; at 23 ℃; for 24h; Solvent; Reagent/catalyst; Irradiation;

DOI:10.1039/c9sc06239d

Reference yield: 92.0%

benzamide (55-21-0,27208-38-4) + α-bromoacetophenone (70-11-1) → 2,4-diphenyl-1,3-oxazole (838-41-5)

Guidance literature:

With triethylamine; In ethanol; at 80 ℃; for 0.333333h; under 10343.2 Torr; Temperature; Reagent/catalyst; Time; Wavelength; Microwave irradiation;

Reference yield: 91.0%

5-(trimethylsilyl)-2,4-diphenyloxazole (133229-63-7) → 2,4-diphenyl-1,3-oxazole (838-41-5)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃;

DOI:10.1055/s-2007-983782

upstream raw materials:

benzamide

α-bromoacetophenone

2,5-diphenyloxazole

methanol

Downstream raw materials:

(2,4-diphenyl-oxazol-5-yl)-phenyl-methanol

2,4-diphenyl-5-methyloxazole

3,4-diphenyl-isoxazole

5-(trimethylsilyl)-2,4-diphenyloxazole

Refernces

• 1、 -. "Microwave preparation method of 2, 4-disubstituted oxazole compound". Paragraph 0014-0015; 0017. . Retrieved 2020/11/25.
• 2、 Yoneyama, Hiroki,Oka, Naoki,Usami, Yoshihide,Harusawa, Shinya. "A novel synthetic method of 2,4-disubstituted oxazoles using carboxylic acid-derived Bu2Sn[OC(O)R]2". supporting information. . Retrieved 2020/05/21.