3-(1,3,4-Oxadiazol-2-yl)benzoic acid

Base Information

• Chemical Name: 3-(1,3,4-Oxadiazol-2-yl)benzoic acid
• CAS No.: 1176505-26-2
• Molecular Formula: C₉H₆N₂O₃
• Molecular Weight: 190.158
• European Community (EC) Number: 838-620-6
• Mol file: 1176505-26-2.mol

Synonyms:3-(1,3,4-oxadiazol-2-yl)benzoic acid;1176505-26-2;3-[1,3,4]Oxadiazol-2-yl-benzoic acid;SCHEMBL2823140;MJPAHMZEXVECGY-UHFFFAOYSA-N;BXB50526;AKOS010017003;3-(1,3,4-oxadiazol-2-yl)benzoicacid;AM807336;DB-093883;CS-0249853;EN300-45412;F72321;Z525977076

Chemical Property of 3-(1,3,4-Oxadiazol-2-yl)benzoic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.03784206
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

3-[1,3,4]Oxadiazol-2-yl-benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)C2=NN=CO2

Technology Process of 3-(1,3,4-Oxadiazol-2-yl)benzoic acid

There total 1 articles about 3-(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: 51.0%

3-hydrazinocarbonyl-benzoic acid (26175-71-3) + orthoformic acid triethyl ester (122-51-0) → 3-(1,3,4-oxadiazol-2-yl)benzoic acid (1176505-26-2)

Guidance literature:

With toluene-4-sulfonic acid; at 60 ℃; for 4h;

Reference yield: 25.0%

2-fluorobenzenesulfonyl hydrazide + 3-(1,3,4-oxadiazol-2-yl)benzoic acid (1176505-26-2) → N'-(3-(1,3,4-oxadiazol-2-yl)benzoyl)-2-fluorobenzenesulfonohydrazide

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile; at 40 ℃; for 17h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b02071

Reference yield:

3-(1,3,4-oxadiazol-2-yl)benzoic acid (1176505-26-2) + 2-amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone hydrochloride → 3-[1,3,4]Oxadiazol-2-yl-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide (1232028-08-8)

Guidance literature:

3-(1,3,4-oxadiazol-2-yl)benzoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

2-amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

3-hydrazinocarbonyl-benzoic acid

orthoformic acid triethyl ester

Downstream raw materials:

3-[1,3,4]Oxadiazol-2-yl-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide