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

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

Uses

Used in Pharmaceutical Research:
1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE is used as a research compound for its potential medicinal properties, particularly in the development of new pharmaceutical drugs. Its unique structure and biological activities make it a promising candidate for further investigation and application in the medical field.
Used in Antimicrobial Applications:
In the field of microbiology, 1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE is used as an antimicrobial agent. Its ability to inhibit the growth of certain microorganisms makes it a valuable tool in the study and treatment of bacterial and fungal infections.
Used in Antiviral Applications:
1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE is also used as an antiviral agent, where its potential to combat viral infections is being explored. This application is crucial in the ongoing search for new antiviral therapies to address emerging viral diseases.
Used in Agrochemical Development:
In the agrochemical industry, 1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE is used as a starting material or intermediate in the synthesis of various agrochemicals. Its potential to control pests and diseases in agriculture makes it a valuable component in the development of new crop protection products.
Used in Laboratory Research:
1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE is used as a laboratory reagent for conducting experiments and studies. Its unique chemical properties allow researchers to explore its interactions with other compounds and its potential applications in various scientific fields.

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

• 873-67-6 benzonitrile oxide 
• 14776-02-4 1-(3-phenyl-isoxazol-5-yl)-ethanol 
• 14731-14-7 2-bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one 
• 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 
• 26503-04-8 5-(2-hydroxyprop-2-yl)-3-phenylisoxazole 
• 135335-38-5 5-dichloromethyl-3-phenyl-isoxazole 
• 698-16-8 benzohydroximoyl chloride 
• 61203-01-8 3-bromobut-3-en-2-one 
• 934-16-7 phenylhydroxamoyl chloride 
• 54606-00-7 5-acetyl-4,5-dihydro-3-phenylisoxazole 
• 68322-00-9 1-phenyl-pent-2-ene-1,4-dione dioxime 

Downstream Products

• 1280732-87-7 [5-(4-bromophenyl)-3-methylisoxazol-4-yl]-[1-(3-phenylisoxazol-5-yl)ethyl]amine 
• 115697-58-0 2-Isopropylamino-1-(3-phenyl-isoxazol-5-yl)-ethanol 
• 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 

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.

Efficient access to isoxazoles from alkenes

The direct regioselective synthesis of 3,5-disubstituted isoxazoles was achieved in one reaction vessel through a sequence of reactions involving the net bromination of an electron-deficient alkene, in situ generation of a nitrile oxide, 1,3-dipolar cycloaddition, and loss of HBr from an intermediate 5,5-disubstituted bromoisoxazoline. This one-pot process enables the synthesis of 3,5-disubstituted isoxazoles directly from electron-deficient alkenes thereby negating the isolation of the 1,1-disubstituted bromoalkene alkyne surrogate. Georg Thieme Verlag Stuttgart.

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,

Oxidative degradation of arylfuro-1,2-oxazoles to arylnitriles by potassium permanganate

Arylfuroisoxazolines are oxidatively degraded to arylnitriles by treatment with a mixture of potassium permanganate and sodium acetate in dry dioxane.

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.

In search of new chemical entities with spermicidal and anti-HIV activities

Several compounds belonging to 2-isoxazolines (4,5a-c), isoxazoles (3,6a-c) and 1-amino-1-cycloalkyl-2-substituted phenyl ethanes (16-18,a-e) have been synthesised and found to possess spermicidal activity. Out of these a couple of compounds (5a and 6a) exhibit anti-HIV activity. (C) Elsevier Science Ltd.

1,3-DIPOLAR CYCLOADDITION REACTIONS INVOLVING CAPTODATIVE OLEFINS

A series of arylnitrile oxides (6a-e) were reacted with captodative olefins (4) to yield 5-acetyl-3-arylisoxazoles.No intermediate isoxazolines were formed, the olefins thus behaved as acetylene equivalents.A plausible explanation for the observed regiose