3-Hydroxy-5-benzoyl-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-Hydroxy-5-benzoyl-1,2,4-oxadiazole
• CAS No.: 42837-65-0
• Molecular Formula: C9H6 N2 O3
• Molecular Weight: 190.158
• DSSTox Substance ID: DTXSID80195509
• Wikidata: Q83068471
• Mol file: 42837-65-0.mol

Synonyms:3-Hydroxy-5-benzoyl-1,2,4-oxadiazole;42837-65-0;DTXSID80195509

Chemical Property of 3-Hydroxy-5-benzoyl-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 5.53E-07mmHg at 25°C
• Boiling Point: 400.4°Cat760mmHg
• Flash Point: 195.9°C
• Density: 1.45g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.03784206
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=NC(=O)NO2

Technology Process of 3-Hydroxy-5-benzoyl-1,2,4-oxadiazole

There total 2 articles about 3-Hydroxy-5-benzoyl-1,2,4-oxadiazole 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:

→ 5-benzoyl-2H-[1,2,4]oxadiazol-3-one (42837-65-0)

Guidance literature:

With sodium acetate; acetic acid; at 30 - 35 ℃; nachfolgend Neutralisieren mit verd. Natronlauge;

Reference yield:

3,4-dibenzoyl-1,2,5-oxadiazole-N-oxide (6635-54-7) → 3-Hydroxy-5-benzoyl-1,2,4-oxadiazol (42837-65-0)

Guidance literature:

(hydrolysis);

Reference yield:

5-benzoyl-2H-[1,2,4]oxadiazol-3-one (42837-65-0) + aniline (62-53-3) → N-phenyl benzoyl amide (93-98-1,5705-51-1) + N,N-diphenylurea (603-54-3)

Guidance literature:

upstream raw materials:

3,4-dibenzoyl-1,2,5-oxadiazole-N-oxide

Downstream raw materials:

N-phenyl benzoyl amide

N,N-diphenylurea

benzoic acid

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