145441-17-4

Basic information

• Product Name: 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI)
• Synonyms: 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI);3-Isoxazolecarboxylic acid, 5-acetyl;5-Acetylisoxazole-3-carboxylic acid;5-Acetyl-3-carboxyisoxazole;5-acetyl-1,2-oxazole-3-carboxylic acid
• CAS NO: 145441-17-4
• Molecular Formula: C₆H₅NO₄
• Molecular Weight: 155.1082
• Product Categories: OXAZOLE;CARBOXYLICACID;ACETYLGROUP
• Mol File: 145441-17-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 141-142 °C(Solv: benzene (71-43-2))
• Boiling Point: 402.638 °C at 760 mmHg
• Flash Point: 197.309 °C
• Appearance: /
• Density: 1.416 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: 2-8°C
• PKA: 3.01±0.10(Predicted)
• CAS DataBase Reference: 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI)(145441-17-4)
• EPA Substance Registry System: 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI)(145441-17-4)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 145441-17-4(Hazardous Substances Data)

Usage

General Description

3-Isoxazolecarboxylic acid, 5-acetyl- (9CI) is a chemical compound with the molecular formula C7H7NO3. It belongs to the class of organic compounds known as isoxazole carboxylic acids. 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI) is commonly used in the synthesis of pharmaceutical products and in various research applications. It can be utilized as a building block for the preparation of other active pharmaceutical ingredients. Additionally, it has potential biological activity and has been studied for its potential therapeutic uses in the treatment of various diseases and disorders. Overall, 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI) is an important chemical compound with diverse applications in the pharmaceutical and research industries.

InChI:InChI=1/C6H5NO4/c1-3(8)5-2-4(6(9)10)7-11-5/h2H,1H3,(H,9,10)

Upstream product

• 104776-70-7 ethyl 5‐acetylisoxazole‐3‐carboxylate 

Downstream Products

• 139297-29-3 N-(2,6-dimethylphenyl)-5-acetyl-3-isoxazolecarboxamide 

Relevant articles and documents

COMPOUNDS AND USES THEREOF

The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.

New N-aryl isoxazolecarboxamides and N-isoxazolylbenzamides as anticonvulsant agents

We prepared a series of N-aryl isoxazolecarboxamide, N-isoxazolylbenzamide compounds and derivatives and studied their anticonvulsant action in MES and MMS tests. Some of these reveal considerable activity, especially with respect to MES test. The disubstitution in the 2.6-position on the phenyl ring by two methyl groups would appear to be of primary importance for the activity. The amide bridge between the phenyl and isoxazolic rings, whether of the anilide or benzamide type, seems to show similar anticonvulsant behavior. We have selected the derivatives 8 (N-(2.6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide, 12 (N-(2.6-dimethylphenyl)-5-hydroxymethyl-3-isoxazolecarboxamide) and 51 (N-(5-methyl-3-isoxazolyl)-2.6-dimethylbenzamide) which are presently being studied in more extended pharmacological tests.