84163-64-4

Basic information

• Product Name: 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE
• Synonyms: 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE;1,2-Benzisoxazole,5-Fluoro-3-(4-Piperidinyl);1,2-BENZISOXAZOL-5-FLUORO-3-(4-PIPERIDINYL) HYDROCHLORIDE
• CAS NO: 84163-64-4
• Molecular Formula: C₁₂H₁₃FN₂O
• Molecular Weight: 220.24
• Mol File: 84163-64-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 359 °C at 760 mmHg
• Flash Point: 170.9 °C
• Appearance: /
• Density: 1.216 g/cm³
• Vapor Pressure: 2.46E-05mmHg at 25°C
• Refractive Index: 1.566
• PKA: 9.72±0.10(Predicted)
• CAS DataBase Reference: 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE(84163-64-4)
• EPA Substance Registry System: 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE(84163-64-4)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 84163-64-4(Hazardous Substances Data)

Usage

General Description

5-Fluoro-3-(4-Piperidinyl)-1,2-Benzisoxazole, also known as PNU-22394, is a synthetic organic compound with a benzisoxazole molecular structure. It has a molecular formula of C11H12FN3O and falls under the broad classification of organic compounds known as benzisoxazoles which are organic compounds containing a benzene ring fused to an isoxazole ring. The piperidinyl part of its name refers to the piperidine functional group, a nitrogenous six-membered ring. This chemical is primarily used in scientific research, particularly in the field of neuropharmacology. Its fluorinated benzisoxazole ring makes it an attractive key component in the study and development of pharmacologically active compounds.

InChI:InChI=1/C12H13FN2O/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2

Upstream product

• 691007-07-5 (2,4-Difluoro-phenyl)-piperidin-4-yl-methanone oxime 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 735294-25-4 5-fluorobenzisoxazole 
• 691007-05-3 C₁₂H₁₄F₂N₂O 
• 84163-46-2 (2,4-difluorophenyl)(4-piperidinyl)methanone oxime 

Downstream Products

• 84163-16-6 4-(5-fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloride 
• 106266-06-2 Risperidone 

Relevant articles and documents

Oxidative degradation of paliperidone using potassium permangnate in acid medium

Oxidative degradation reactions of paliperidone are studied using potassium permanganate in acidic medium spectrophotometrically. Complete reaction was carried out in pseudo first order condition. The reaction orders were calculated with respect to the paliperidone and acid, the obtained values indicate that these reactant have less than first order dependency on the reaction rate. Oxidation products were identified using LC-MS technique and their m/z values were found to be 207, 221 and 443. Kinetics and the mechanism of the reactions were derived from the results identified. The reactions were studied at four different temperatures with different paliperidone and acid concentrations. The activation and thermodynamic parameters were calculated by graphical method.

Process for making risperidone and intermediates therefor

The formation of risperidone is enhanced by the use of enriched Z-isomer oxime intermediate(s) of formula (3) or (7). The oxime(s) can be isomerically enriched by a variety of techniques including the use of the novel acetic acid salt thereof, which affords, inter alia, resolution of the isomers and/or by heat conversion.