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4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid

CAS 2225169-45-7Formula C12H15BF3NO2MW 273.06PubChem 133555300

4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid is a trifluoromethylated phenylboronic acid derivative featuring a piperidine substituent. It is primarily utilized as a versatile building block in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: DMQAKBIQQOLEJB-UHFFFAOYSA-NC12H15BF3NO2 | MW 273.06

Chemical Identity

Molecular Formula

C12H15BF3NO2

Molecular Weight

273.06 g/mol

Exact Mass

273.114793

PubChem CID

133555300

IUPAC Name

[4-piperidin-4-yl-3-(trifluoromethyl)phenyl]boronic acid

SMILES String

OB(O)c1ccc(C2CCNCC2)c(C(F)(F)F)c1

Names & Synonyms

(4-(Piperidin-4-yl)-3-(trifluoromethyl)phenyl)boronic acid
External Identifiers
CS-34236

Catalog Overview

This compound, 4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid, is a sophisticated organic intermediate characterized by a phenylboronic acid core substituted with a trifluoromethyl group and a piperidin-4-yl moiety. The boronic acid functionality makes it particularly valuable in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, for forming new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, often enhancing lipophilicity and metabolic stability in target molecules, while the piperidine ring provides a basic nitrogen and a site for further...

Use Context

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  • Custom synthesis and catalog availability review
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Read more catalog context

This compound, 4-(Piperidin-4-yl)-3-trifluoromethylphenylboronic acid, is a sophisticated organic intermediate characterized by a phenylboronic acid core substituted with a trifluoromethyl group and a piperidin-4-yl moiety. The boronic acid functionality makes it particularly valuable in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, for forming new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, often enhancing lipophilicity and metabolic stability in target molecules, while the piperidine ring provides a basic nitrogen and a site for further functionalization. This chemical is intended for research and development applications only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

150.0 °C

Boiling Point

400.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

280.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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