169814-48-6

Basic information

• Product Name: 1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE
• Synonyms: 1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE;4-ACETYL-3-(4-CHLOROPHENYL)-5-METHYLISOXAZOLE;BUTTPARK 75\12-06;Ethanone, 1-[3-(4-chlorophenyl)-5-Methyl-4-isoxazolyl]-;1-(3-(4-Chlorophenyl)-5-Methylisoxazol-4-yl)ethanone
• CAS NO: 169814-48-6
• Molecular Formula: C12H10ClNO2
• Molecular Weight: 235.67
• Mol File: 169814-48-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 54-56
• Boiling Point: 385.4°C at 760 mmHg
• Flash Point: 186.9°C
• Appearance: /
• Density: 1.237g/cm³
• Vapor Pressure: 3.82E-06mmHg at 25°C
• Refractive Index: 1.553
• PKA: -4.96±0.50(Predicted)
• CAS DataBase Reference: 1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE(169814-48-6)
• EPA Substance Registry System: 1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE(169814-48-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 169814-48-6(Hazardous Substances Data)

Usage

Description

1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE is a derivative of isoxazol, a five-membered heterocyclic compound that contains oxygen and nitrogen atoms. It features a ketone group with a 4-chlorophenyl substituent, which may influence its pharmacological activity, solubility, stability, and biological distribution. This chemical has potential pharmaceutical applications due to the diverse biological activities exhibited by isoxazol derivatives, including anti-inflammatory, analgesic, and anticonvulsant properties.

Uses

Used in Pharmaceutical Industry:
1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE is used as a potential pharmaceutical agent for its demonstrated biological activities. The specific 4-chlorophenyl substitution may enhance its therapeutic effects, making it a candidate for the development of new drugs or therapeutic agents targeting various health conditions.
Given the potential applications in the pharmaceutical industry, further research is necessary to explore the specific uses of this chemical, such as its role in treating inflammation, pain, or seizures. The unique structural features of 1-[3-(4-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE, including the 4-chlorophenyl group, could provide insights into its mechanism of action and potential synergistic effects with other drugs.

InChI:InChI=1/C12H10ClNO2/c1-7(15)11-8(2)16-14-12(11)9-3-5-10(13)6-4-9/h3-6H,1-2H3

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Relevant articles and documents

A novel synthesis of isoxazoles via 1,3-dipolar cycloaddition of nitrile oxides to acetyl acetone

Nitrile oxides (2) isolated from the oxidative dehydrogenation of aldoximes (1) by chloramines-T react with acetyl acetone (3) to afford 4-acetyl-3-aryl-5-methyl isoxazoles (5) in good yield. All new compounds were characterized by IR, 1H NMR,