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2-Trifluoromethyl-4-(3-methylpiperidin-1-yl)phenylboronic acid

CAS 2225153-43-3Formula C13H17BF3NO2MW 287.09PubChem 133555153

A phenylboronic acid derivative featuring a trifluoromethyl group and a 3-methylpiperidin-1-yl substituent, primarily used as a versatile building block in organic synthesis.

Loading RDKit molecule structure...
InChIKey: OZQBBNVQFKFDOJ-UHFFFAOYSA-NC13H17BF3NO2 | MW 287.09

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

133555153

IUPAC Name

[4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)phenyl]boronic acid

SMILES String

CC1CCCN(c2ccc(B(O)O)c(C(F)(F)F)c2)C1

Names & Synonyms

(4-(3-Methylpiperidin-1-yl)-2-(trifluoromethyl)phenyl)boronic acid
External Identifiers
CS-34428

Catalog Overview

2-Trifluoromethyl-4-(3-methylpiperidin-1-yl)phenylboronic acid is a complex organic compound characterized by a phenylboronic acid core, a trifluoromethyl group at the 2-position, and a 3-methylpiperidin-1-yl moiety at the 4-position. This combination of functional groups makes it a valuable intermediate in the synthesis of diverse chemical structures, particularly in medicinal chemistry and materials science. Its boronic acid functionality allows for participation in cross-coupling reactions, while the trifluoromethyl group can impart unique electronic and metabolic properties to target molecules.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

150.0 °C

Boiling Point

350.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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 fume hood to avoid inhalation. Avoid contact with skin and eyes. 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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