4,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic acid

Base Information

• Chemical Name: 4,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic acid
• CAS No.: 41259-89-6
• Molecular Formula: C16H10N2O5
• Molecular Weight: 310.266
• DSSTox Substance ID: DTXSID70356521
• Nikkaji Number: J1.062.956J
• Wikidata: Q82135897
• Mol file: 41259-89-6.mol

Synonyms:4,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic acid;41259-89-6;Benzoic acid, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis-;SCHEMBL11438341;DTXSID70356521

Chemical Property of 4,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 310.05897142
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)O)C(=O)O

Technology Process of 4,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic acid

There total 9 articles about 4,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic 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: 87.0%

1-m-toluoyl-2-p-toluoylhydrazine (91913-84-7) → 4,4'-(1,3,4-oxadiazole-2,5-diyl)dibenzoic acid (41259-89-6)

Guidance literature:

With potassium permanganate; In pyridine; water; for 2h; Heating;

Reference yield:

p-toluic hydrazide (3619-22-5) → 4,4'-(1,3,4-oxadiazole-2,5-diyl)dibenzoic acid (41259-89-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / Na₂CO₃ / ethanol / 4 h

2: 87 percent / KMnO₄ / pyridine; H₂O / 2 h / Heating

With potassium permanganate; sodium carbonate; In pyridine; ethanol; water;

Reference yield:

2,5-di-p-tolyl-1,3,4-oxadiazole (2491-91-0) → 4,4'-(1,3,4-oxadiazole-2,5-diyl)dibenzoic acid (41259-89-6)

Guidance literature:

With pyridine; potassium permanganate;

DOI:10.1016/j.saa.2015.01.015

upstream raw materials:

diethyl-4,4-(1,3,4-oxadiazole-2,5-diyl)dibenzoate

1-m-toluoyl-2-p-toluoylhydrazine

p-toluic hydrazide

4-hydrazinocarbonyl-benzoic acid ethyl ester

Downstream raw materials:

diethyl-4,4-(1,3,4-oxadiazole-2,5-diyl)dibenzoate

2,5-bis (4-phenylacyl chloride)-1,3,4-oxadiazole

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