4-(4-Nitrophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-one

Base Information

• Chemical Name: 4-(4-Nitrophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-one
• CAS No.: 62803-78-5
• Molecular Formula: C₂₀H₁₅N₃O₄
• Molecular Weight: 361.357
• NSC Number: 102901
• DSSTox Substance ID: DTXSID50295545
• Mol file: 62803-78-5.mol

Synonyms:NSC102901;62803-78-5;DTXSID50295545;NSC-102901

Chemical Property of 4-(4-Nitrophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-one

Chemical Property:

• Vapor Pressure: 4.36E-11mmHg at 25°C
• Boiling Point: 524.3°Cat760mmHg
• Flash Point: 270.9°C
• Density: 1.375g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 361.10625597
• Heavy Atom Count: 27
• Complexity: 532

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)C2N(C(=O)ON2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 4-(4-Nitrophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-one

There total 2 articles about 4-(4-Nitrophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-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: 85.0%

4-Nitrophenyl isocyanate (100-28-7) + N-(benzylidene)aniline N-oxide (1137-96-8,26505-49-7,201024-81-9) → 4-(nitrophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-one (62803-78-5)

Guidance literature:

at 20 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c9ob00651f

Reference yield:

4-Nitrophenyl isocyanate (100-28-7) + C,N-diphenylnitrone (201024-81-9) → 4-(nitrophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-one (62803-78-5)

Guidance literature:

In benzene;

upstream raw materials:

4-Nitrophenyl isocyanate

C,N-diphenylnitrone

N-(benzylidene)aniline N-oxide