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

Base Information

• Chemical Name: 3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
• CAS No.: 94192-15-1
• Molecular Formula: C12H12N2O3
• Molecular Weight: 232.23500
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL2442689
• DSSTox Substance ID: DTXSID20536013
• Nikkaji Number: J1.204.334A
• Wikidata: Q82410510
• Mol file: 94192-15-1.mol

Synonyms:3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid;94192-15-1;3-(3-(o-Tolyl)-1,2,4-oxadiazol-5-yl)propanoic acid;SCHEMBL6326180;CHEMBL2442689;DTXSID20536013;MFCD08133379;AKOS000134743;BS-4380;G75330;3-(3-(o-Tolyl)-1,2,4-oxadiazol-5-yl)propanoicacid

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 444.864oC at 760 mmHg
• Flash Point: 222.846oC
• PSA: 76.22000
• Density: 1.261g/cm3
• LogP: 2.06220
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 232.08479225
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

98%min ^*data from raw suppliers

3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=NOC(=N2)CCC(=O)O

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

There total 5 articles about 3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic 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: 60.0%

succinic acid anhydride (108-30-5) + N'-hydroxy-2-methylbenzamidine (40312-14-9) → di-o-tolyl-[1,2,4]oxadiazole (124463-95-2) + 3-<(3-o-Tolyl)-1,2,4-oxadiazol-5-yl>propionic acid (94192-15-1) + 5,5'-(1,2-ethanediyl)-bis<3-(o-tolyl)-1,2,4-oxadiazole> (138528-20-8)

Guidance literature:

at 140 ℃; for 0.0333333h; Microwave irradiation; Sealed vessel;

DOI:10.1248/cpb.57.819

Reference yield: 25.0%

succinic acid anhydride (108-30-5) + (Z)-N'-hydroxy-2-methylbenzamidine (40312-14-9) → 3-<(3-o-Tolyl)-1,2,4-oxadiazol-5-yl>propionic acid (94192-15-1)

Guidance literature:

at 140 ℃; for 0.5h;

DOI:10.1002/jhet.5570210453

Reference yield:

succinic acid anhydride (108-30-5) + N'-hydroxy-2-methylbenzamidine (40312-14-9) → 3-<(3-o-Tolyl)-1,2,4-oxadiazol-5-yl>propionic acid (94192-15-1)

Guidance literature:

microwave irradiation;

DOI:10.3390/11050318

upstream raw materials:

succinic acid anhydride

(Z)-N'-hydroxy-2-methylbenzamidine

N'-hydroxy-2-methylbenzamidine

2-Methylbenzonitrile

Downstream raw materials:

3-[3-(2-tolyl)-1,2,4-oxadiazol-5-yl]propionic acid prop-2-ynyl ester