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4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine

CAS 2020070-33-9Formula C12H15BF3NO2MW 273.06PubChem 49760460

This compound is a trifluoromethyl-substituted pyridine derivative featuring a pinacol boronic ester group. It is primarily used as a versatile building block in organic synthesis, particularly in cross-coupling reactions.

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

Chemical Identity

Molecular Formula

C12H15BF3NO2

Molecular Weight

273.06 g/mol

Exact Mass

273.114793

PubChem CID

49760460

IUPAC Name

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine

SMILES String

CC1(C)OB(c2ccncc2C(F)(F)F)OC1(C)C

Names & Synonyms

891-151-93-(Trifluoromethyl)pyridine-2-boronic acid pinacol ester3-(TRIFLUOROMETHYL)PYRIDIN-4-YLBORONIC ACID PINACOL ESTERPyridine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-VUXXEWACVTZKTH-UHFFFAOYSA-N
Show all synonyms
G71879Z2049765708
External Identifiers
RefChem:516991SCHEMBL18113665MFCD13182144MB12931DB-152588EN300-6253614

Catalog Overview

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine is an organoboron compound characterized by a pyridine ring substituted with a trifluoromethyl group at position 3 and a pinacol boronic ester at position 4. The pinacol boronic ester moiety makes it a highly reactive and valuable reagent for various carbon-carbon bond-forming reactions, such as Suzuki-Miyaura coupling, enabling the introduction of the 3-(trifluoromethyl)pyridin-4-yl group into complex molecular structures. Its trifluoromethyl group can impart unique electronic and steric properties to target molecules.

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Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless to pale yellow liquid

Physical State

Liquid

Melting Point

86.0 °C

Boiling Point

242.0 °C

Density

1.3 g/cm³

Water Solubility

9.33 × 10⁻⁴ mol/L

Flash Point

110.0 °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 hazard information and safe handling procedures.

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