94192-17-3

Basic information

• Product Name: 3-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID
• Synonyms: Albb-004337;3-(3-P-TOLYL-[1,2,4]OXADIAZOL-5-YL)-PROPIONIC ACID
• CAS NO: 94192-17-3
• Molecular Formula: C₁₂H₁₂N₂O₃
• Molecular Weight: 232.24
• Mol File: 94192-17-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 437.8°C at 760 mmHg
• Flash Point: 218.6°C
• Appearance: /
• Vapor Pressure: 1.94E-08mmHg at 25°C
• CAS DataBase Reference: 3-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID(94192-17-3)
• EPA Substance Registry System: 3-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID(94192-17-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 94192-17-3(Hazardous Substances Data)

Usage

General Description

3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is a chemical compound that belongs to the class of oxadiazoles. It is a derivative of propionic acid and contains a 1,2,4-oxadiazole ring system. 3-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID has potential pharmaceutical applications and may have biological activities due to its structure. It is important to handle this compound with caution and follow safe laboratory practices when working with it.

InChI:InChI=1/C12H12N2O3/c1-8-2-4-9(5-3-8)12-13-10(17-14-12)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)/p-1

Upstream product

• 108-30-5 succinic acid anhydride 
• 19227-13-5 (Z)-N'-hydroxy-4-methylbenzimidamide 
• 19227-13-5 p-toluamidoxime 
• 104-85-8 para-methylbenzonitrile 

Downstream Products

• 1187182-71-3 3-[3-(4-tolyl)-1,2,4-oxadiazol-5-yl]propionic acid prop-2-ynyl ester 
• 1160941-11-6 3,5-diamino-6-chloropyrazine-2-carboxylic acid [8-{3-[3-(4-chlorophenyl)-[1,2,4]oxadiazol-5-yl]propionyl}-1,3,8-triazaspiro[4.5]dec-(2E)-ylidene]amide trifluoroacetate 

Relevant articles and documents

Development of fluorinated CB2 receptor agonists for PET studies

A convergent strategy was followed to modify systematically carbazole based CB2 receptor ligands. The length of the N-(fluoroalkyl) group (n in 7), the length of the alkanamide (m in 7) and the substitution pattern of the phenyl moiety (X and Y in 7) were varied systematically. The highest CB 2 affinity was found for the 2-fluoroethyl substituted carbazole derivative 20a (Ki = 5.8 nM) containing the propionamide and the 2-bromo-4-fluorophenyl moiety. According to docking studies 20a fits nicely into the binding pocket of the CB2 receptor, but elongation of the fluoroethyl side chain leads to a different binding mode of the ligands. The high CB2 affinity together with the high selectivity over the CB 2 subtype qualifies the fluoroethyl derivative 20a to be developed as a PET tracer.

Synthesis and structure determination of N,N-diethyl-3-[3-aryl-1,2,4- oxadiazol-5-yl]propionamides

An efficient and facile synthesis of six new 1,2,4-oxadiazoles (6a-f) with a tertiary amide group attached on the side-chain, in high yield, is described. Correct assignments of side-chain methylene, methyl protons, and carbon signals have been made with the assistance of COSY, NOESY and HETCOR NMR experiments.