3-Benzoyl-5-methyl-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-Benzoyl-5-methyl-1,2,4-oxadiazole
• CAS No.: 23572-07-8
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.186
• DSSTox Substance ID: DTXSID30470595
• Nikkaji Number: J2.214.615G
• Wikidata: Q82298746
• Mol file: 23572-07-8.mol

Synonyms:23572-07-8;3-benzoyl-5-methyl-1,2,4-oxadiazole;SCHEMBL1324894;DTXSID30470595

Chemical Property of 3-Benzoyl-5-methyl-1,2,4-oxadiazole

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NO1)C(=O)C2=CC=CC=C2

Technology Process of 3-Benzoyl-5-methyl-1,2,4-oxadiazole

There total 5 articles about 3-Benzoyl-5-methyl-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: 45.0%

acetophenone (98-86-2) + acetonitrile (75-05-8,26809-02-9) → 3-benzoyl-5-methyl-1,2,4-oxadiazole (23572-07-8)

Guidance literature:

acetophenone; With nitric acid; ytterbium(III) nitrate; at 50 ℃; for 0.166667h;

acetonitrile; at 80 ℃; for 5h;

DOI:10.1590/S0103-50532012005000002

Reference yield:

bis-[(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl-methylene]-hydrazine (102001-33-2) → 3-benzoyl-5-methyl-1,2,4-oxadiazole (23572-07-8)

Guidance literature:

With hydrogenchloride; In ethanol;

Reference yield:

2-methyl-4-nitroso-5-phenyl-1(3)H-imidazole (114165-08-1) → 3-benzoyl-5-methyl-1,2,4-oxadiazole (23572-07-8)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2-methyl-4-nitroso-5-phenyl-1⁽³⁾H-imidazole

bis-[(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl-methylene]-hydrazine

acetophenone

acetonitrile

Downstream raw materials:

3-(Acetylamino)-4-phenylfurazan

bis-[(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl-methylene]-hydrazine

3-benzoyl-5-methyl-1,2,4-oxadiazole (E)-oxime