31295-65-5

Basic information

• Product Name: 4-BroMo-5-Methyl-3-phenylisoxazole
• Synonyms: 4-BroMo-5-Methyl-3-phenylisoxazole
• CAS NO: 31295-65-5
• Molecular Formula: C₁₀H₈BrNO
• Molecular Weight: 238.08062
• Mol File: 31295-65-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 319.6±37.0 °C(Predicted)
• Appearance: /
• Density: 1.458±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -4.18±0.50(Predicted)
• CAS DataBase Reference: 4-BroMo-5-Methyl-3-phenylisoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BroMo-5-Methyl-3-phenylisoxazole(31295-65-5)
• EPA Substance Registry System: 4-BroMo-5-Methyl-3-phenylisoxazole(31295-65-5)

Safety Data

• Hazardous Substances Data: 31295-65-5(Hazardous Substances Data)

Usage

General Description

4-Bromo-5-methyl-3-phenylisoxazole is a chemical compound with the molecular formula C10H8BrNO, and it is a type of isoxazole ring compound. It is a white to light brown solid and is insoluble in water. 4-BroMo-5-Methyl-3-phenylisoxazole has potential applications in pharmaceuticals and agrochemicals due to its biological activities, including antimicrobial, antiviral, and antibacterial properties. Additionally, it is utilized as a building block in organic synthesis for the development of new compounds with various biological and medicinal activities. 4-Bromo-5-methyl-3-phenylisoxazole has the potential for further research and development for its uses in various industries and scientific fields.

Upstream product

• 1008-74-8 5-methyl-3-phenylisoxazole 
• 6249-80-5 1-phenylbut-3-en-1-one 
• 80735-94-0 1-Phenyl-3-buten-1-ol 
• 68843-67-4 1-phenyl-but-3-en-1-one oxime 
• 613-91-2 acetophenone oxime 
• 1027564-45-9 5-hydroxy-5-methyl-3-phenyl-4,5-dihydro-2-isoxazole 

Downstream Products

• 181695-72-7 valdecoxib 
• 2065-28-3 methyl 5-methyl-3-phenylisoxazole-4-carboxylate 
• 1136-45-4 5-methyl-3-phenylisoxazol-4-carboxylic acid 
• 16883-16-2 5-methyl-3-phenylisoxazole-4-carbonyl chloride 
• 66-79-5 oxacillin 
• 1616829-85-6 6-(5-methyl-3-phenylisoxazol-4-yl)-8-((2-(trimethylsilyl)ethoxy)methoxy)-3-((2-(trimethylsilyl)ethoxy)methyl)quinazolin-4(3H)-one 
• 491876-01-8 C₁₀H₁₀BNO₃ 
• 30058-40-3 2-fluorobenzenesulfonamide 

Relevant articles and documents

Oxime-mediated facile access to 5-methylisoxazoles and applications in the synthesis of valdecoxib and oxacillin

A palladium-catalyzed efficient synthesis of 5-methylisoxazoles via oxime-mediated functionalization of unactivated olefins is described. The reaction affords a variety of 5-methylisoxazoles in moderate to good yields. To further demonstrate the utility of the method, the rapid synthesis of valdecoxib and oxacillin is reported. (Chemical Equation Presented).

Convenient Approach to 3,4-Diarylisoxazoles Based on the Suzuki Cross-Coupling Reaction

The Suzuki cross-coupling reaction was found effective for rapid access to a series of 3,4-diarylisoxazoles of pharmacological interest. The efficiency of this approach was demonstrated by the synthesis of the highly potent COX-2-selective inhibitor, 4-(5-methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide (valdecoxib), and its analogues. Thus, the coupling reaction between (3-aryl-5-methyl-4-isoxazolyl)boronic acids, prepared in situ from the corresponding bromides using triisopropyl borate, and aryl bromides containing a 4-sulfonamide or 4-methylsulfonyl group under the standard conditions [Pd(PPh3)4, Na2CO3, EtOH-H2O, reflux] yielded the target 3,4-diarylisoxazoles in good yields.