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6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride

CAS Number 84163-13-3

Chemistry Building Blocks, Fluorinated Building Blocks, Heterocyclic Building Blocks, Materials, Monomers

Product Code B2201-10g
Price $100 ex. VAT

A fluorinated heterocyclic building block

A synthesis intermediate and molecular scaffold for medicinal chemistry research and drug discovery

Specifications | MSDS | Literature and Reviews

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride (CAS number 84163-13-3), a fluorinated heterocycle compound, contains a benzisoxazole (a benzene-fused isoxazole), a piperidine and a fluorine substituent. 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride is primarily involved in the synthesis of atypical antipsychotics such as risperidone, paliperidone and iloperidone for the treatment of schizophrenia. 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride is also exploited as a molecular scaffold for antimicrobials, antidepressants and anticancer drugs.

Chemical structure of risperidone, an antipsychotic for treating schizophrenia and bipolar disorder

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride can be easily modified via acylation and sulfonylation with acyl chloride or sulfonyl chloride. It also reacts with alkyl chloride/bromide to form N-alkylated products.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated piperidylbenzisoxazole building block

For drug discovery, medicinal chemistry, and biochemistry research

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High purity 84163-13-3

High purity

>98% High purity

General Information

CAS Number 84163-13-3
Chemical Formula C12H14ClFN2O
Full Name 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
Molecular Weight 256.70 g/mol
Synonyms R-56109 hydrochloride, 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloride, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride
Classification / Family Fluorinated building blocks, Heterocyclic building blocks, APIs, Drug discovery

Chemical Structure

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride chemical structure, CAS 84163-13-3
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride chemical structure, CAS 84163-13-3

Product Details

Purity 98%
Melting Point N/A
Appearance White powder

MSDS Documentation

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride MSDS Sheet

Literature and Reviews

  1. An improved and efficient process for the production of highly pure paliperidonem, a psychotropic angent, via DBU catalyzed N-alkylation, P. Solanki et al., ACS Sustainable Chem. Eng., 1(2), 243–248(2013); DOI: 10.1021/sc3000916.
  2. In silico docking studies and synthesis of new phosphoramidate derivatives of 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole as potential antimicrobial agents, M. Sivala et al., J. Recept. Signal Transduct., 40(5), 486–492(2020); DOI: 10.1080/10799893.2020.1752719.
  3. Solution phase synthesis of a diverse library of benzisoxazoles utilizing the [3+2] cycloaddition of in situ generated nitrile oxidies and arynes, A. Dubrovskiy et al., ACS Comb Sci., 15(4), 193–201(2013); DOI: 10.1021/co300159g.
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