2048-69-3

Basic information

• Product Name: 1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE
• Synonyms: 5-ACETYL-3-PHENYLISOXAZOLE;3-PHENYL-5-ACETYL ISOXAZOLE;1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE;1-(3-PHENYLISOXAZOL-5YL)ETHANONE;BUTTPARK 75\12-45;1-(3-phenylisoxazol-5-yl)ethan-1-one
• CAS NO: 2048-69-3
• Molecular Formula: C₁₁H₉NO₂
• Molecular Weight: 187.19
• Mol File: 2048-69-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 107-108,5°C
• Boiling Point: 373 °C at 760 mmHg
• Flash Point: 179.4 °C
• Appearance: /
• Density: 1.153 g/cm³
• Vapor Pressure: 9.23E-06mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE(2048-69-3)
• EPA Substance Registry System: 1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE(2048-69-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 2048-69-3(Hazardous Substances Data)

Usage

General Description

1-(3-phenyl-5-isoxazolyl)-1-ethanone, also known as isoxazole phenyl ethanone, is a synthetic chemical compound with the molecular formula C11H9NO2. It is classified as an aromatic ketone and contains a phenyl ring and isoxazole ring in its structure. This chemical is commonly used in laboratory research for its potential medicinal properties and has been studied for its antimicrobial and antiviral activities. It may also have potential applications in the development of pharmaceutical drugs and agrochemicals. However, due to its synthetic nature and potential health hazards, it should be handled and used with caution in a controlled laboratory environment.

InChI:InChI=1/C11H9NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-7H,1H3

Upstream product

• 54606-00-7 5-acetyl-4,5-dihydro-3-phenylisoxazole 
• 14776-02-4 1-(3-phenyl-isoxazol-5-yl)-ethanol 
• 61203-01-8 3-bromobut-3-en-2-one 
• 934-16-7 phenylhydroxamoyl chloride 
• 698-16-8 benzohydroximoyl chloride 
• 14731-14-7 2-bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one 
• 135335-38-5 5-dichloromethyl-3-phenyl-isoxazole 
• 873-67-6 benzonitrile oxide 
• 186581-53-3 diazomethane 
• 72418-40-7 3-phenylisoxazole-5-carbaldehyde 
• 25109-57-3 3,4-dibromobutan-2-one 
• 81745-44-0 benzohydroximoyl chloride 
• 932-90-1 syn-benzaldehyde oxime 
• 1423-60-5 methyl ethynyl ketone 

Downstream Products

• 1280732-87-7 [5-(4-bromophenyl)-3-methylisoxazol-4-yl]-[1-(3-phenylisoxazol-5-yl)ethyl]amine 
• 115697-57-9 2-tert-Butylamino-1-(3-phenyl-isoxazol-5-yl)-ethanol 
• 49637-07-2 2-Bromo-1-(3-phenyl-isoxazol-5-yl)-ethanol 
• 14731-14-7 2-bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one 
• 61858-88-6 triphenyl-[1-(3-phenyl-isoxazol-5-yl)-ethyl]-phosphonium; bromide 
• 115697-58-0 2-Isopropylamino-1-(3-phenyl-isoxazol-5-yl)-ethanol 

Relevant articles and documents

Microwave-assisted debromination of α-bromoketones with triarylstibanes in water

Several α-bromoarylketones were reacted with triarylstibanes under microwave irradiation in water to obtain the corresponding debrominated ketones. Under similar reaction conditions, 1,2-elimination of vic-dibromides in water afforded the corresponding E-olefins. This reaction is the first example of organoantimony compounds utilized for organic transformation in water.

Isoxazoles from 1,1-disubstituted bromoalkenes

The regioselective synthesis of 3,5-disubstituted isoxazoles was achieved through the 1,3-dipolar cycloaddition of nitrile oxides with 1,1-disubstituted bromoalkenes. The substituted bromoalkenes function as alkyne synthons which were used to construct 5,

Synthesis and pharmacological characterization of new analogs of broxaterol

A series of isoxazole derivatives structurally related to broxaterol 1 has been prepared and tested for their potency to β1 and β2 adrenergic receptors. At variance with broxaterol, none of the tested compounds displayed agonistic activity. The 3-isopropenyl derivative 5f is the most potent antagonist both in the trachea and atria preparations.