2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

Base Information

• Chemical Name: 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
• CAS No.: 56894-37-2
• Molecular Formula: C₁₅H₁₀N₂O₃
• Molecular Weight: 266.256
• DSSTox Substance ID: DTXSID50496035
• Wikidata: Q82344594

Synonyms:2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid;56894-37-2;SCHEMBL11611972;DTXSID50496035;KZGNBBSIFFFNSU-UHFFFAOYSA-N;AKOS017550088;2-(5-phenyl-1,3,4-oxadiazole-2-yl) benzoic acid

Chemical Property of 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.06914219
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C(=O)O

Technology Process of 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

There total 8 articles about 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid 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:

2-methylbenzohydrazide (7658-80-2) → 2-(5-phenyl-1,3,4-oxadiazole-2-yl)-benzoic acid (56894-37-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) AcOH, (ii) Br₂, NaOAc

2: Na₂Cr₂O₇*2H₂O, H₂SO₄ / acetic acid

With sodium dichromate; sulfuric acid; In acetic acid;

DOI:10.1071/CH9772225

Reference yield:

2-((2-benzoylhydrazono)methyl)benzoic acid (65349-12-4) → 2-(5-phenyl-1,3,4-oxadiazole-2-yl)-benzoic acid (56894-37-2)

Guidance literature:

With bromine; sodium acetate; In acetic acid;

DOI:10.1071/CH9772225

Reference yield:

2-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole (59663-63-7) → 2-(5-phenyl-1,3,4-oxadiazole-2-yl)-benzoic acid (56894-37-2)

Guidance literature:

With sodium dichromate; sulfuric acid; In acetic acid;

DOI:10.1071/CH9772225

upstream raw materials:

2-((2-benzoylhydrazono)methyl)benzoic acid

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

2-methylbenzohydrazide

N'-(2-methyl-benzoyl)-benzohydrazonic acid amide

Downstream raw materials:

2-(5-phenyl-[1,3,4]oxadiazol-2-yl)-benzoyl chloride

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