95124-68-8

Basic information

• Product Name: 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID
• Synonyms: 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID;3-(4-Carboxyphenyl)-5-methyl-1,2,4-oxadiazole
• CAS NO: 95124-68-8
• Molecular Formula: C₁₀H₈N₂O₃
• Molecular Weight: 204.18
• Mol File: 95124-68-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 262 °C
• Boiling Point: 405.1°Cat760mmHg
• Flash Point: 198.8°C
• Appearance: /
• Density: 1.336g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.583
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• PKA: 3.38±0.10(Predicted)
• CAS DataBase Reference: 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID(95124-68-8)
• EPA Substance Registry System: 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID(95124-68-8)

Safety Data

• Hazard Codes: Xi
• Statements: 26-36
• Safety Statements: 36-26
• Hazardous Substances Data: 95124-68-8(Hazardous Substances Data)

Usage

General Description

4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid is a chemical compound with the molecular formula C10H8N2O3. It is a derivative of benzoic acid with a 1,2,4-oxadiazole ring attached to the benzene ring. 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID has potential applications in medicinal chemistry due to its structural features, which could make it a useful scaffold for drug development. Additionally, 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid may also have applications in materials science and organic synthesis. Detailed studies on the properties and reactions of this compound could reveal its potential in various fields of science and technology.

InChI:InChI=1/C10H8N2O3/c1-6-11-9(12-15-6)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3,(H,13,14)

Upstream product

• 23610-05-1 4-(N-hydroxycarbamimidoyl)-benzoic acid 
• 619-66-9 4-Carboxybenzaldehyde 
• 64-19-7 acetic acid 
• 196301-94-7 methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate 
• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 184778-33-4 methyl (Z)-4-(N’-hydroxycarbamimidoyl)benzoate 
• 108-24-7 acetic anhydride 
• 184778-33-4 4-(N-hydroxycarbamimidoyl)-benzoic acid methyl ester 
• 81386-30-3 5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole 
• 65695-05-8 methyl 4-(N’-hydroxycarbamimidoyl)benzoate 
• 619-65-8 4-cyanobenzoic Acid 

Downstream Products

• 340736-46-1 methyl 2-[(2S)-4-[2-(tert-butoxy)-2-oxoethyl]-1-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoyl]-3-oxopiperazinyl]acetate 
• 222541-76-6 4-(5-methyl-1,2,4-oxadiazol-3-yl)-benzoyl chloride 
• 1449701-94-3 4-(5-methyl-[1,2,4]oxadiazol-3-yl)benzoyl azide 
• 49787-02-2 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol 

Relevant articles and documents

Synthesis, Antifungal Activity, DFT Study and Molecular Dynamics Simulation of Novel 4-(1,2,4-Oxadiazol-3-yl)-N-(4-phenoxyphenyl)benzamide Derivatives

In order to find novel potential antifungal agrochemicals, a series of new 4-(1,2,4-oxadiazol-3-yl)-N-(4-phenoxyphenyl)benzamide derivatives 3a–j were designed, synthesized and characterized by their 1H-, 13C-NMR and HRMS spectra. Th

Synthesis of benzoic acids containing a 1,2,4-oxadiazole ring

A new approach to the synthesis of 4and 3-(5-R-1,2,4-oxadiazol-3-yl)benzoic acids via a selective oxidation of 5-R-3-tolyl-1,2,4-oxadiazoles with air oxygen in the presence of a catalytic system based on cobalt acetate was suggested. This synthesis allowed us to obtain the products in higher yields and with shorter sequence of steps as compared to the known procedures.

Orally active GPIIb/IIIa antagonists: Synthesis and biological activities of masked amidines as prodrugs of 2-[(3S)-4-[(2S)-2-(4-amidinobenzoylamino)-3-(4-methoxyphenyl)propanoyl]-3- (2-methoxy-2-oxoethyl)-2-oxopiperazinyl]acetic acid

To improve the in vivo potency of the potent GPIIb/IIIa antagonist 2-[(3S)-4-[(2S)-2-(4-amidinobenzoylamino)-3-(4-methoxyphenyl)propanoyl]-3- (2-methoxy-2-oxoethyl)-2-oxopiperazinyl]lacetic acid (4), the amidino group was converted to an oxadiazole ring, thiadiazole ring of substituted amidoxime group. These groups were expected to be metabolized to an amidino group in vivo. The compounds synthesized were evaluated for their potency to inhibit the ex vivo adenosine 5′-diphosphate (ADP)-induced aggregation of guinea pig platelets. Among the compounds examined, the methoxycarbonyloxyamidine 8a exhibited the most potent ex vivo inhibitory activity with a fast onset and prolonged duration of action after oral administration.