7064-35-9

Basic information

• Product Name: 5-(4-METHYLPHENYL)ISOXAZOLE
• Synonyms: Isoxazole, 5-(4-methylphenyl)- (9CI);5-(4-Methylphenyl)-1,2-oxazole, 4-(1,2-Oxazol-5-yl)toluene, 4-(Isoxazol-5-yl)toluene;5-(4-methylphenyl)-1,2-oxazole;5-(p-Tolyl)
• CAS NO: 7064-35-9
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.18456
• Product Categories: OXAZOLE
• Mol File: 7064-35-9.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 290°Cat760mmHg
• Flash Point: 121.8°C
• Appearance: /
• Density: 1.082g/cm³
• Vapor Pressure: 6.09E-10mmHg at 25°C
• Refractive Index: 1.645
• CAS DataBase Reference: 5-(4-METHYLPHENYL)ISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-METHYLPHENYL)ISOXAZOLE(7064-35-9)
• EPA Substance Registry System: 5-(4-METHYLPHENYL)ISOXAZOLE(7064-35-9)

Safety Data

• Hazardous Substances Data: 7064-35-9(Hazardous Substances Data)

Usage

General Description

5-(4-methylphenyl)isoxazole is a chemical compound that belongs to the class of isoxazoles, which are organic compounds containing a five-membered aromatic ring with an oxygen and a nitrogen atom. This particular compound contains a methyl group and a phenyl group attached to the isoxazole ring. It is commonly used in the pharmaceutical industry as a building block for the synthesis of various drug molecules. Additionally, it has been studied for its potential biological activities, such as anticancer, antibacterial, and antifungal properties. The structural features of 5-(4-methylphenyl)isoxazole make it a versatile chemical for diverse applications in drug discovery and development.

InChI:InChI=1/C23H28N4O4S2/c1-5-9-27-19(26-10-7-8-15(13-26)22(30)31-6-2)16(14(3)17(12-24)20(27)28)11-18-21(29)25(4)23(32)33-18/h11,15H,5-10,13H2,1-4H3

Upstream product

• 17306-02-4 1-(4-methylphenyl)-3-chloro-2-propen-1-one 
• 17451-27-3 3-oxo-3-p-tolyl-propionaldehyde 
• 18103-98-5 3-dimethylamino-1-(4-methyl-phenyl)-2-propen-1-one 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 
• 122-00-9 para-methylacetophenone 
• 14377-02-7 3-oxo-3-p-tolyl-propionaldehyde 
• 91869-60-2 1-[(E)-3-Dimethylamino-1-p-tolyl-prop-2-en-(E)-ylideneamino]-4,6-diphenyl-1H-pyridin-2-one 
• 18103-98-5 (E)-3-(dimethylamino)-1-p-tolylprop-2-en-1-one 
• 1533419-00-9 N'-((3-oxo-1-(p-tolyl)prop-1-en-1-yl)oxy)benzimidamide 
• 1606167-98-9 C₁₅H₁₄NO⁽¹⁺⁾*Br^(1-) 
• 14377-18-5 1-(4-methylphenyl)prop-2-yn-1-one 

Downstream Products

• 5765-40-2 5-isoxazol-5-yl-2-methyl-benzenesulfonyl chloride 
• 169547-50-6 5-(4-bromomethyl-phenyl)-isoxazole 
• 184698-54-2 N-(3,5-dimethylbenzoyl)-3-[4-(5-isoxazolyl)-phenyl]-alanine ethyl ester 
• 169545-68-0 [N-(3,5-dimethylbenzoyl)-N-methyl-3-[4-(5-isoxazolyl)-phenyl]-(D)-alanyl]-(L)-tryptophane 

Relevant articles and documents

A novel synthesis of 5-substituted isoxazoles from propargylic amines and N-hydroxyphthalimide

A mild and efficient method for the synthesis of 5-substituted isoxazoles through cyclization of propargylic amines with N-hydroxyphthalimide (NHPI) under metal-free conditions was developed.

Method for synthesizing isoxazole compound from nitrine and acetylenic ketone compound

The invention discloses a method for synthesizing an isoxazole compound from nitrine and an acetylenic ketone compound. The method comprises the following steps: 1, adding 30 mol% of a catalyst, 10 equivalent water and a 5-10 time polar solvent, introducing air or allowing a container to be openmouthed, and stirring at room temperature for 24h; 2, adding 20 equivalent triphenyl phosphine, continuously stirring and reacting at room temperature for 2h, and carrying out a TLC tracking reaction; 3, pouring a reaction product into 10-30mL of water after the reaction is completed; and 4, extracting the reaction product with 20-30mL of dichloromethane, washing the extracted reaction product with (10-20mL of) a saturated saline solution three times, drying the washed extraction product with anhydrous Na2SO4, filtering the dried reaction product, carrying out reduced pressure distillation to remove solvents, and carrying out rapid silica gel column chromatography purification to obtain the final product. The method has the advantages of simple operation required by experiments, easily available raw materials, few reaction steps, high output, very good application values, suitableness for being applied to fields of medicines and pesticides, and good application prospect.

Reactions of trans-1-(β-aroylvinyl)pyridinium bromides with hydroxylamine hydrochloride

Reactions of trans-1-(β-aroylvinyl)pyridinium bromides with hydroxylamine hydrochloride lead to a mixture of substituted isoxazoles regardless of the substituent nature in the aromatic core and the solvent.