3,3-Difluoropiperidine hydrochloride

CAS Number 496807-97-7

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

3,3-Difluoropiperidine hydrochloride MSDS

3,3-Difluoropiperidine hydrochloride CAS 496807-97-7

A gem-fluorinated piperidine building block

For improving inhibitory performance of APIs

Overview
Related Products

3,3-Difluoropiperidine hydrochloride (CAS number 496807-97-7) is a hydrochloride salt of piperidine with two fluoride substituents at 3-position. As a piperidine derivative, 3,3-difluoropiperidine hydrochloride is a ubiquitous building block in pharmaceutical active ingredients (APIs). 3,3-Difluoropiperidine hydrochloride can attach to molecular scaffolds effortlessly through amination. This fluorinated piperidine building block improves the potency of an agonist of apelin receptor with effective concentration EC₅₀ from 162 nM to 6.5 nM. The presence of 3,3-difluoropiperidine has an enhanced selectivity of estrogen positive breast cancer (1600 folds selectivity).

Molecular functionalisation with 3,3-difluoropiperidine hydrochloride is also used as a ¹⁹F NMR probe without requiring deuterated solvents or internal standards.

Multiple functional groups

For facile synthesis

Fluorinated piperidine building block

For NMR probe, medicinal chemistry and biochemistry research

Worldwide shipping

Quick and reliable shipping

High purity

>98% High purity

General Information

CAS Number	496807-97-7
Chemical Formula	C₅H₁₀ClF₂N
Full Name	3,3-Difluoropiperidine hydrochloride
Molecular Weight	157.59 g/mol
Synonyms	3 3-Difluoropiperidine HCl, 3,3-Difluoropiperidinium chloride
Classification / Family	Fluorinated building block, Heterocyclic building blocks, Piperidine derivatives, APIs

Chemical Structure

Product Details

Purity	98%
Melting Point	T_m = 243 °C – 247 °C
Appearance	Cream/beige powder

MSDS Documentation

3,3-Difluoropiperidine hydrochloride MSDS Sheet

Literature and Reviews

Synthesis and characterization of an orally bioavailable small molecule agonist of the apelin receptor, S. Narayanan et al., Bioorg. Med. Chem., 66, 116789(2022); DOI: 10.1016/j.bmc.2022.116789.
Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(L)-prolyl}-4-[(30,50-dichloro-isonicotinoyl) amino]-(L)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist, S. Venkatraman et al., Bioorganic Med. Chem. Lett., 19, 5803–5806(2009); DOI: 10.1016/j.bmcl.2009.07.111.
Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as ¹⁹F NMR probes in deuterium-free environments, J. Woods et al., J. Med. Chem.,54(22), 7934–7941(2011); DOI: 10.1021/jm201114t.
Activators of the anticipatory unfolded protein response with enhanced selectivity for estrogen receptor positive breast cancer, M. Boudreau et al., J. Med. Chem., 65(5), 3894–3912(2022); DOI: 10.1021/acs.jmedchem.1c01730.

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