84163-68-8

Basic information

• Product Name: 3-Piperidin-4-ylbenzo[d]isoxazole
• Synonyms: 3-PIPERIDIN-4-YL-BENZO[D]ISOXAZOLE;3-PIPERIDIN-4-YL-1H-PYRROLO[2,3-B]PYRIDINE HCL;3-(4-piperidinyl)-1,2-Benzisoxazole;3-(Piperidin-4-yl);Risperidone Related Compound HCl
• CAS NO: 84163-68-8
• Molecular Formula: C12H14N2O
• Molecular Weight: 202.25
• Product Categories: pharmacetical
• Mol File: 84163-68-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 355.519 °C at 760 mmHg
• Flash Point: 168.812 °C
• Appearance: /
• Density: 1.144 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.583
• Storage Temp.: 2-8°C(protect from light)
• PKA: 9.81±0.10(Predicted)
• CAS DataBase Reference: 3-Piperidin-4-ylbenzo[d]isoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Piperidin-4-ylbenzo[d]isoxazole(84163-68-8)
• EPA Substance Registry System: 3-Piperidin-4-ylbenzo[d]isoxazole(84163-68-8)

Safety Data

• Hazardous Substances Data: 84163-68-8(Hazardous Substances Data)

Usage

General Description

3-Piperidin-4-ylbenzo[d]isoxazole is a chemical compound with potential pharmaceutical applications. It belongs to the class of benzo[d]isoxazoles, which are heterocyclic compounds containing a benzene ring fused to an isoxazole ring. The piperidine moiety is a six-membered nitrogen-containing ring, commonly found in many pharmaceutical agents due to its diverse biological activities. 3-Piperidin-4-ylbenzo[d]isoxazole has been studied for its potential use in the development of new drugs, particularly for its potential as a central nervous system (CNS) agent. Its unique structure and potential pharmacological properties make it an interesting target for further research and development in the field of medicinal chemistry.

InChI:InChI=1/C12H14N2O/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2

Upstream product

• 88284-48-4 2-(trimethylsilyl)phenyl trifluoromethanesulfonate 
• 467423-44-5 tert-butyl 4-(chloro(hydroxyimino)methyl)piperidine-1-carboxylate 
• 1198283-78-1 3-(N-boc-piperidin-4-yl)benzisoxazole 
• 84163-55-3 3-(1-methyl-4-piperidinyl)-1,2-benzisoxazole 
• 394-47-8 2-fluorobenzonitrile 
• 84163-45-1 4-(2-fluorobenzoyl)-1-methyl piperidine 
• 5570-77-4 4-chloro-1-methylpiperidine 
• 84163-21-3 phenyl 4-(1,2-benzisoxazol-3-yl)-1-piperidinecarboxylate 

Downstream Products

• 1426901-70-3 3-[1-(phenylsulfonyl)piperidin-4-yl]benzisoxazole 
• 1426901-75-8 C₁₈H₁₆Br₂N₂O₃S 
• 1426901-76-9 C₂₁H₂₂N₂O₄ 
• 84163-35-9 3-[1-(β-Phenylethyl)-4-piperidyl]-1,2-benzisoxazole hydrochloride 

Relevant articles and documents

Solution-phase synthesis of a diverse library of benzisoxazoles utilizing the [3 + 2] cycloaddition of in situ-generated nitrile oxides and arynes

A library of benzisoxazoles has been synthesized by the [3 + 2] cycloaddition of nitrile oxides with arynes and further diversified by acylation/sulfonylation and palladium-catalyzed coupling processes. The eight key intermediate benzisoxazoles have been prepared by the reaction of o-(trimethylsilyl)aryl triflates and chlorooximes in the presence of CsF in good to excellent yields under mild reaction conditions. These building blocks have been used as the key components of a diverse set of 3,5,6-trisubstituted benzisoxazoles.

Synthesis and Neuroleptic Activity of 3-(1-Substituted-4-piperidinyl)-1,2-benzisoxazoles

The synthesis of a series of 3-(1-substituted-4-piperidinyl)-1,2-benzisoxazoles is described.The neuroleptic activity of the series was evaluated by utilizing the climbing mice assay and inhibition of spiroperidol binding.Structure-activity relationships were studied by variation of the substituent on the benzisoxazole ring with concomitant variation of four different 1-piperidinyl substituents.Maximum neuroleptic activity was realized when there was a 6-fluoro substituent on the benzisoxazole ring.The 1-piperidinyl substituent appeared less significant, although in most cases, the (1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl group imparted maximum potency.The most potent compound in both assays was 6-fluoro-3--4-piperidinyl>-1,2-benzisoxazole (11b).