89479-66-3

Basic information

• Product Name: 3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE
• Synonyms: BUTTPARK 95\50-98;3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE;3-METHYL-5-PHENYL-4-ISOXAZOLECARBOXALDEHYDE;3-Methyl-5-phenylisoxazole-4-carboxaldehyde;3-Methyl-5-phenyl-4-isoxazolecarbaldehyde, 95+%;4-Formyl-3-methyl-5-phenylisoxazole
• CAS NO: 89479-66-3
• Molecular Formula: C₁₁H₉NO₂
• Molecular Weight: 187.19
• Mol File: 89479-66-3.mol

Chemical Properties

• Melting Point: 85 °C
• Boiling Point: 357.2°C at 760 mmHg
• Flash Point: 169.8°C
• Appearance: /
• Density: 1.179g/cm³
• Vapor Pressure: 2.78E-05mmHg at 25°C
• Refractive Index: 1.58
• CAS DataBase Reference: 3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE(89479-66-3)
• EPA Substance Registry System: 3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE(89479-66-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: 24/25
• HazardClass: IRRITANT
• Hazardous Substances Data: 89479-66-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE is used as a building block for the creation of various drugs and other organic compounds due to its unique chemical structure and potential biological activities.
Used in Organic Synthesis:
3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE is used as a key intermediate in the synthesis of complex organic molecules, leveraging its reactive functional groups and structural features.
Used in Drug Discovery:
3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE is used as a starting material for the development of new pharmaceutical agents, particularly in the search for compounds with antimicrobial and antifungal properties, given its demonstrated biological activities.
Used in Medicinal Chemistry:
3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE is used as a scaffold for the design and optimization of novel therapeutic agents, taking advantage of its chemical versatility and the potential for its derivatives to exhibit beneficial pharmacological effects.

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

Upstream product

• 113826-87-2 (3-methyl-5-phenylisoxazol-4-yl)methanol 
• 14371-10-9 (E)-3-phenylpropenal 
• 7063-95-8 acetonitrile-N-oxide 
• 326818-16-0 3-Methyl-5-phenyl-isoxazole-4-carbonitrile 
• 17153-21-8 3-methyl-5-phenyl-isoxazole-4-carboxylic acid 

Downstream Products

• 89479-69-6 3-methyl-4-(3-methyl-1,4,2-dioxazol-5-yl)-5-phenylisoxazole 
• 1003887-75-9 (S,E)-2-((3-methyl-5-phenyIisoxazol-4-yl)methyleneamino)-2-phenylethanol 
• 326818-17-1 1-(3-Methyl-5-phenyl-isoxazol-4-yl)-ethanol 
• 1338816-11-7 C₂₅H₂₈N₂O₃ 
• 1338816-18-4 C₁₇H₂₂N₂O 

Relevant articles and documents

Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases

The present invention provides compounds of formula I: 1where R1 is H, CONH2, T(n)—R, or T(n)—Ar2, n may be zero or one, and G, XYZ, and Q are as described below. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

Eine verbesserte Methode zur Synthese substituierter Isoxazol-4-carbaldehyde

A series of isoxazole-4-carbaldehydes 3 have been readily prepared by simple oxidation of the corresponding isoxazolylalcohols 2 with sodium dichromate in dimethylsulfoxide.

Nitrile Oxides Cycloadditions to Cinnamaldehyde. Facile Dehydrogention of 4-Formyl-4,5-dihydroisoxazoles

Nitrile oxides (1) react with cinnamaldehyde (2) at the ethylenic double bond to give 4-formyl-4,5-dihydroisoxazoles (3) as the predominant regioisomers (1H nmr).These primary cycloadducts easily dehydrogenate to the corresponding isoxazoles (4).In the presence of an excess of nitrile oxide (1), either the aldehydes (3) and (4) undergo further cycloaddition at the C=O bond yielding the bis-cycloadducts (5) and (6), respectively.