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

Base Information

• Chemical Name: 3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
• CAS No.: 94192-16-2
• Molecular Formula: C12H12N2O3
• Molecular Weight: 232.23500
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30390168
• Nikkaji Number: J1.204.335J
• ChEMBL ID: CHEMBL2442690
• Mol file: 94192-16-2.mol

Synonyms:94192-16-2;3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid;3-(3-m-Tolyl-[1,2,4]oxadiazol-5-yl)-propionic acid;3-(3-(m-Tolyl)-1,2,4-oxadiazol-5-yl)propanoic acid;SCHEMBL6324430;CHEMBL2442690;DTXSID30390168;MFCD07186380;AKOS000134784;BS-36522;CS-0321689;FT-0677705;3-(3-(m-Tolyl)-1,2,4-oxadiazol-5-yl)propanoicacid;3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propionic acid

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

Chemical Property:

• Vapor Pressure: 6.48E-09mmHg at 25°C
• Boiling Point: 450.8oC at 760 mmHg
• Flash Point: 226.5oC
• PSA: 76.22000
• Density: 1.26g/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-m-Tolyl-[1,2,4]oxadiazol-5-yl)-propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=NOC(=N2)CCC(=O)O

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

There total 4 articles about 3-[3-(3-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: 74.0%

succinic acid anhydride (108-30-5) + N'-hydroxy-3-methylbenzimidamide (40067-82-1) → 3-<(3-m-Tolyl)-1,2,4-oxadiazol-5-yl>propionic acid (94192-16-2) + 5,5'-(1,2-ethanediyl)-bis<3-(m-tolyl)-1,2,4-oxadiazole> (138528-21-9) + 3-(3-toluyl)-5-(3-toluyl)-1,2,4-oxadiazole (94538-44-0)

Guidance literature:

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

DOI:10.1248/cpb.57.819

Reference yield:

succinic acid anhydride (108-30-5) + N'-hydroxy-3-methylbenzimidamide (40067-82-1) → 3-<(3-m-Tolyl)-1,2,4-oxadiazol-5-yl>propionic acid (94192-16-2)

Guidance literature:

microwave irradiation;

DOI:10.3390/11050318

Reference yield:

3-Methylbenzonitrile (620-22-4) → 3-<(3-m-Tolyl)-1,2,4-oxadiazol-5-yl>propionic acid (94192-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃; NH₂OH*HCl / ethanol; H₂O / Heating

2: Heating

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; 1: Addition / 2: Addition;

DOI:10.3987/com-99-8615

upstream raw materials:

succinic acid anhydride

N'-hydroxy-3-methylbenzimidamide

3-Methylbenzonitrile

Downstream raw materials:

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

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 94192-16-2 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send