196301-94-7

Basic information

• Product Name: Methyl 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate
• Synonyms: Methyl 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate;4-(5-methyl-1,2,4-oxadiazol-3-yl)Benzoic acid methyl ester
• CAS NO: 196301-94-7
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218
• Mol File: 196301-94-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 359.1±44.0 °C(Predicted)
• Appearance: /
• Density: 1.225±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -0.83±0.25(Predicted)
• CAS DataBase Reference: Methyl 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate(196301-94-7)
• EPA Substance Registry System: Methyl 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate(196301-94-7)

Safety Data

• Hazardous Substances Data: 196301-94-7(Hazardous Substances Data)

Usage

General Description

Methyl 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate is a chemical compound with the formula C11H10N2O3. It belongs to the oxadiazole family, which is characterized by a five-membered ring containing two nitrogen atoms and one oxygen atom. This specific compound is a methyl ester derivative of 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid. It is commonly used in the pharmaceutical and agrochemical industries, where it can be utilized as a building block in the synthesis of various biologically active compounds. It has also been studied for its potential antimicrobial and anti-inflammatory properties. Overall, Methyl 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate is an important chemical intermediate with potential applications in drug discovery and development.

Upstream product

• 75-05-8 acetonitrile 
• 168699-41-0 methyl 4-[(1E)-(hydroxyimino)methyl]benzoate 
• 108-24-7 acetic anhydride 
• 184778-33-4 methyl (Z)-4-(N’-hydroxycarbamimidoyl)benzoate 
• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 1571-08-0 methyl 4-formylbenzoate 
• 65695-05-8 methyl 4-(N’-hydroxycarbamimidoyl)benzoate 
• 75-36-5 acetyl chloride 

Downstream Products

• 95124-68-8 5-methyl-3-(4-carboxyphenyl)-1,2,4-oxadiazole 
• 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 

Relevant articles and documents

Evaluation of 5-(Trifluoromethyl)-1,2,4-oxadiazole-Based Class IIa HDAC Inhibitors for Huntington's Disease

Using an iterative structure-activity relationship driven approach, we identified a CNS-penetrant 5-(trifluoromethyl)-1,2,4-oxadiazole (TFMO, 12) with a pharmacokinetic profile suitable for probing class IIa histone deacetylase (HDAC) inhibition in vivo.

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.