138716-37-7

Basic information

• Product Name: 5-(4-FLUOROPHENYL)ISOXAZOLE
• Synonyms: 5-(4-FLUOROPHENYL)ISOXAZOLE;BUTTPARK 32\03-37;Isoxazole, 5-(4-fluorophenyl)- (9CI);5-(4-Fluorophenyl)-1,2-oxazole, 1-Fluoro-4-(1,2-oxazol-5-yl)benzene, 1-Fluoro-4-(isoxazol-5-yl)benzene
• CAS NO: 138716-37-7
• Molecular Formula: C₉H₆FNO
• Molecular Weight: 163.15
• Product Categories: OXAZOLE;Isoxazoles, Oxadiazoles, Oxazoles
• Mol File: 138716-37-7.mol
• Article Data: 8

Chemical Properties

• Melting Point: 53-56°C
• Boiling Point: 275.8 °C at 760 mmHg
• Flash Point: 120.6 °C
• Appearance: /
• Density: 1.209 g/cm³
• Vapor Pressure: 0.00838mmHg at 25°C
• Refractive Index: 1.523
• PKA: -3.09±0.10(Predicted)
• CAS DataBase Reference: 5-(4-FLUOROPHENYL)ISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-FLUOROPHENYL)ISOXAZOLE(138716-37-7)
• EPA Substance Registry System: 5-(4-FLUOROPHENYL)ISOXAZOLE(138716-37-7)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 138716-37-7(Hazardous Substances Data)

Usage

General Description

5-(4-Fluorophenyl)isoxazole is a chemical compound that belongs to the group of organic compounds known as isoxazoles. Isoxazoles are compounds containing an isoxazole ring, which is a five-membered aromatic ring with one oxygen atom, one nitrogen atom, and three carbon atoms. The '5-(4-Fluorophenyl)' part of the name refers to the substitution on the fifth position of the isoxazole ring by a fluorophenyl group, which consists of a phenyl ring (a six-membered aromatic ring containing six carbon atoms) substituted with a fluorine atom. The presence of the fluorine atom may enhance the biological activity of the molecule, serving various applications in medicinal chemistry and drug discovery. However, specific properties, such as its boiling point, melting point, and solubility in various solvents, may vary depending on other groups present in the molecule. The exact uses, safety, and environmental effects of this particular compound would depend on these factors.

InChI:InChI=1/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H

Upstream product

• 403-42-9 1-(4-fluorophenyl)ethanone 
• 138716-20-8 (E)-3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one 
• 80151-28-6 3-(4-fluoro-phenyl)-prop-2-yn-1-ol 
• 75175-77-8 3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one 
• 54012-23-6 1-(4-fluorophenyl)prop-2-yn-1-one 
• 115168-89-3 3-(4-fluorophenyl)-3-oxopropanal 

Downstream Products

• 929635-71-2 5-(4-fluorophenyl)-1H-pyrazol-3-amine 

Relevant articles and documents

Preparation method of isoxazole derivative

The invention relates to a preparation method of an isoxazole derivative, which comprises the following steps of mixing an propargyl alcohol derivative, a halogen source, an acid and a solvent, and heating to react; adding the hydroxylamine into the react

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.