(4-Nitro-3-phenyl-1,2-oxazol-5-yl)-phenylmethanone

Base Information

• Chemical Name: (4-Nitro-3-phenyl-1,2-oxazol-5-yl)-phenylmethanone
• CAS No.: 121246-80-8
• Molecular Formula: C16H10N2O4
• Molecular Weight: 294.266
• DSSTox Substance ID: DTXSID20565606
• Nikkaji Number: J283.761G
• Wikidata: Q82450799
• Mol file: 121246-80-8.mol

Synonyms:121246-80-8;(4-nitro-3-phenyl-1,2-oxazol-5-yl)-phenylmethanone;DTXSID20565606;(4-nitro-3-phenyl-5-isoxazolyl)(phenyl)methanone;(4-Nitro-3-phenyl-1,2-oxazol-5-yl)(phenyl)methanone

Chemical Property of (4-Nitro-3-phenyl-1,2-oxazol-5-yl)-phenylmethanone

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 294.06405680
• Heavy Atom Count: 22
• Complexity: 411

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Nitro-3-phenyl-1,2-oxazol-5-yl)-phenylmethanone

There total 3 articles about (4-Nitro-3-phenyl-1,2-oxazol-5-yl)-phenylmethanone 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:

C16H12N2O5 (121246-79-5) → 5-benzoyl-4-nitro-3-phenylisoxazole (121246-80-8)

Guidance literature:

With aluminum oxide; In dichloromethane; for 60h; Yield given; Ambient temperature;

DOI:10.1055/s-1988-27737

Reference yield:

phenylglyoxylyl chloride (25726-04-9) → 5-benzoyl-4-nitro-3-phenylisoxazole (121246-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 16 h / Ambient temperature

2: Al₂O₃ / CH₂Cl₂ / 60 h / Ambient temperature

With aluminum oxide; In diethyl ether; dichloromethane;

DOI:10.1055/s-1988-27737

Reference yield:

2-isonitroso-1-nitro-2-phenylethane (21205-24-3) → 5-benzoyl-4-nitro-3-phenylisoxazole (121246-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 16 h / Ambient temperature

2: Al₂O₃ / CH₂Cl₂ / 60 h / Ambient temperature

With aluminum oxide; In diethyl ether; dichloromethane;

DOI:10.1055/s-1988-27737

upstream raw materials:

C₁₆H₁₂N₂O₅

phenylglyoxylyl chloride

2-isonitroso-1-nitro-2-phenylethane

Downstream raw materials:

6-benzoyl-3-phenyl-5H-pyrazolo<3,4-d>isoxazole

1-benzoyl-5-nitro-4-phenyl-2-oxa-3-azabiclo<3.1.0>hex-3-ene

((3aR,6aS)-3a-Nitro-3-phenyl-3a,4-dihydro-pyrazolo[3,4-d]isoxazol-6a-yl)-phenyl-methanone

6-benzoyl-5-methyl-3-phenyl-5H-pyrazolo<3,4-d>isoxazole