2-Phenyl-5-m-tolyl-[1,3,4]oxadiazole

Base Information

• Chemical Name: 2-Phenyl-5-m-tolyl-[1,3,4]oxadiazole
• CAS No.: 1874-39-1
• Molecular Formula: C15H12N2O
• Molecular Weight: 236.273
• NSC Number: 90808
• DSSTox Substance ID: DTXSID20293578
• Nikkaji Number: J3.399.724H
• Wikidata: Q82032404
• ChEMBL ID: CHEMBL1304008

Synonyms:2-Phenyl-5-m-tolyl-[1,3,4]oxadiazole;1874-39-1;NSC 90808;2-(3-methylphenyl)-5-phenyl-1,3,4-oxadiazole;HMS1673N15;NSC90808;Cambridge id 6057894;MLS000109729;CHEMBL1304008;DTXSID20293578;HMS2301K08;NSC-90808;STK728265;AKOS000656184;CCG-103765;SMR000105668;2-(m-Tolyl)-5-phenyl-1,3,4-oxadiazole;BB 0238423;SR-01000397182;SR-01000397182-1

Chemical Property of 2-Phenyl-5-m-tolyl-[1,3,4]oxadiazole

Chemical Property:

• Vapor Pressure: 3.02E-06mmHg at 25°C
• Boiling Point: 400.1°Cat760mmHg
• Flash Point: 194.1°C
• Density: 1.149g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.094963011
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=NN=C(O2)C3=CC=CC=C3

Technology Process of 2-Phenyl-5-m-tolyl-[1,3,4]oxadiazole

There total 14 articles about 2-Phenyl-5-m-tolyl-[1,3,4]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: 90.0%

3-methylbenzoyl hydrazine (13050-47-0) + Benzoylformic acid (611-73-4) → 2-(3-methylphenyl)-5-phenyl-1,3,4-oxadiazole (1874-39-1)

Guidance literature:

With tert.-butylhydroperoxide; sodium carbonate; potassium iodide; In 1,4-dioxane; at 120 ℃; for 5h; Sealed tube;

DOI:10.1016/j.tetlet.2016.09.007

Reference yield: 90.0%

benzaldehyde (100-52-7) + 5-(m-tolyl)-2H-tetrazole (3441-00-7) → 2-(3-methylphenyl)-5-phenyl-1,3,4-oxadiazole (1874-39-1)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; ethyl acetate; at 120 ℃; for 3h; Sealed tube;

DOI:10.1002/cjoc.201500598

Reference yield: 86.0%

5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) + m-tolyl aldehyde (620-23-5) → 2-(3-methylphenyl)-5-phenyl-1,3,4-oxadiazole (1874-39-1)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; ethyl acetate; at 120 ℃; for 12h; Sealed tube;

DOI:10.1002/cjoc.201500598

upstream raw materials:

N'-benzoyl-3′-methylbenzohydrazide

3-methyl-benzoic acid benzylidenehydrazide

benzoic acid hydrazide

2-phenyl-1,3,4-oxadiazole

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