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

CAS 2225151-82-4Formula C12H15BF3NO2MW 273.06PubChem 133555288

2-(Piperidin-3-yl)-4-trifluoromethylphenylboronic acid is a functionalized boronic acid derivative featuring a trifluoromethylphenyl group and a piperidinyl substituent. It is primarily used as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions for the formation of carbon-carbon bonds. Its trifluoromethyl group can impart unique electronic and steric properties to target molecules, making it valuable in medicinal chemistry and materials science research.

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

Chemical Identity

Molecular Formula

C12H15BF3NO2

Molecular Weight

273.06 g/mol

Exact Mass

273.114793

PubChem CID

133555288

IUPAC Name

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

SMILES String

OB(O)c1ccc(C(F)(F)F)cc1C1CCCNC1

Names & Synonyms

(2-(Piperidin-3-yl)-4-(trifluoromethyl)phenyl)boronic acid
External Identifiers
CS-34259

Catalog Overview

2-(Piperidin-3-yl)-4-trifluoromethylphenylboronic acid (CAS 2225151-82-4) is a synthetic organic compound with the molecular formula C12H15BF3NO2 and a molecular weight of 273. 06 g/mol. It is characterized by a phenylboronic acid core substituted with a trifluoromethyl group at the 4-position and a piperidin-3-yl group at the 2-position. As a functionalized boronic acid, it serves as a key intermediate in various synthetic methodologies.

Use Context

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  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-(Piperidin-3-yl)-4-trifluoromethylphenylboronic acid (CAS 2225151-82-4) is a synthetic organic compound with the molecular formula C12H15BF3NO2 and a molecular weight of 273.06 g/mol. It is characterized by a phenylboronic acid core substituted with a trifluoromethyl group at the 4-position and a piperidin-3-yl group at the 2-position. As a functionalized boronic acid, it serves as a key intermediate in various synthetic methodologies. The boronic acid functionality makes it highly reactive in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the construction of complex molecular architectures. The trifluoromethyl group is known to enhance lipophilicity, metabolic stability, and binding affinity in medicinal chemistry applications, while the piperidine ring introduces a basic nitrogen and conformational flexibility. This compound is valuable for researchers engaged in drug discovery, agrochemical development, and materials science, where the precise introduction of trifluoromethylated and nitrogen-containing moieties is desired. It is intended for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

155.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

250.0 °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, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a 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 hazard information and safe handling procedures. For research use only.

Related Products / Graph Discovery

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

Similar products (text references)

3-(Piperidin-3-yl)-5-trifluoromethylphenylboronic acidCAS 2225152-66-7
2225177-59-1CAS 2225177-59-1
2-Trifluoromethylpyridine-5-boronic acid pinacol esterCAS 1218790-39-6
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridineCAS 1084953-47-8
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridineCAS 881402-16-0

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29349990GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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