3-(3-Nitrophenyl)-5-phenyl-1,2-oxazole

Base Information

• Chemical Name: 3-(3-Nitrophenyl)-5-phenyl-1,2-oxazole
• CAS No.: 31609-82-2
• Molecular Formula: C15H10N2O3
• Molecular Weight: 266.256
• DSSTox Substance ID: DTXSID50505676
• Wikidata: Q82360946
• Mol file: 31609-82-2.mol

Synonyms:31609-82-2;3-(3-Nitrophenyl)-5-phenyl-1,2-oxazole;DTXSID50505676;3-(3-Nitrophenyl)-5-phenylisoxazole

Chemical Property of 3-(3-Nitrophenyl)-5-phenyl-1,2-oxazole

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.06914219
• Heavy Atom Count: 20
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

Technology Process of 3-(3-Nitrophenyl)-5-phenyl-1,2-oxazole

There total 15 articles about 3-(3-Nitrophenyl)-5-phenyl-1,2-oxazole 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: 90.0%

→ 3-(3-nitrophenyl)-5-phenyl-1,2-oxazole (31609-82-2)

Guidance literature:

at 20 ℃; Alkaline conditions;

Reference yield: 79.0%

(Z)-1-(3-nitrophenyl)-3-phenylprop-2-yn-1-one O-methyl oxime (1616956-18-3) → 3-(3-nitrophenyl)-5-phenyl-1,2-oxazole (31609-82-2) + 4-fluoro-3-(3-nitrophenyl)-5-phenylisoxazole (1616956-28-5)

Guidance literature:

With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); silver toluene-p-sulfonate; sodium hydrogencarbonate; Selectfluor; In acetonitrile; at 20 ℃; for 136h; Inert atmosphere;

DOI:10.1021/jo5008702

Reference yield: 35.0%

3-nitrobenzaldoxime (3431-62-7,20747-39-1) + phenylacetylene (536-74-3) → 3-(3-nitrophenyl)-5-phenyl-1,2-oxazole (31609-82-2)

Guidance literature:

With oxone||potassium monopersulfate triple salt; potassium chloride; In water; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00446

upstream raw materials:

1-(3'-nitrophenyl)-3-phenylpropane-1,3-dione

m-nitrobenzalacetophenone dibromide

benzal-m-nitroacetophenone dibromide

2-(1-phenylethylidene)propanedinitrile