2-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline

Base Information

• Chemical Name: 2-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline
• CAS No.: 88185-02-8
• Molecular Formula: C15H13N3O
• Molecular Weight: 251.288
• DSSTox Substance ID: DTXSID00518599
• Nikkaji Number: J3.414.812K
• Wikidata: Q82381346
• Mol file: 88185-02-8.mol

Synonyms:88185-02-8;2-(5-(p-Tolyl)-1,3,4-oxadiazol-2-yl)aniline;2-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline;DTXSID00518599

Chemical Property of 2-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline

Chemical Property:

• PSA: 64.94000
• LogP: 3.87540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 251.105862047
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3N

Technology Process of 2-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline

There total 8 articles about 2-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline 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: 91.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + p-toluic hydrazide (3619-22-5) → 2-(2-Aminophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (88185-02-8)

Guidance literature:

With iodine; potassium carbonate; In dimethyl sulfoxide; at 160 ℃; for 0.5h; Reagent/catalyst; Solvent; Temperature; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.1080/14756366.2018.1443447

Reference yield: 63.0%

4-Methyl-benzoic acid N'-(2-amino-benzoyl)-hydrazide (28864-28-0) → 2-(2-Aminophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (88185-02-8)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1055/s-1983-30538

Reference yield: 55.0%

2-(2-Nitrophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (88185-06-2) → 2-(2-Aminophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (88185-02-8)

Guidance literature:

With nickel; hydrazine hydrate; In ethanol; for 1h; Heating;

DOI:10.1055/s-1983-30538

upstream raw materials:

2-(2-Nitrophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole

4-Methyl-benzoic acid N'-(2-amino-benzoyl)-hydrazide

p-Toluic acid

anthranilic acid hydrazide