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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

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

2225177-59-1CAS 2225177-59-1

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.