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2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester

CAS 1036990-42-7Formula C12H15BF3NO2MW 273.06PubChem 45785708

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

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

Chemical Identity

Molecular Formula

C12H15BF3NO2

Molecular Weight

273.06 g/mol

Exact Mass

273.114793

PubChem CID

45785708

IUPAC Name

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

SMILES String

CC1(C)OB(c2ccnc(C(F)(F)F)c2)OC1(C)C

Names & Synonyms

695-959-02-(Trifluoromethyl)pyridine-4-boronic acid pinacol ester2-(TRIFLUOROMETHYL)PYRIDIN-4-YLBORONIC ACID PINACOL ESTER2-(TRIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE2-Trifluoromethylpyridine-4-boronic acid pinacol ester
Show all synonyms
(2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)BORONIC ACID PINACOL ESTER4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PYRIDINECS-W000625F233560Z19172361944-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2- trifluoromethyl-pyridine
External Identifiers
RefChem:462594MFCD09607678SCHEMBL406138SCHEMBL29506948DTXSID60671295AKOS015943050AB50743DS-14109SY067984EN300-761570

Catalog Overview

2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester, with CAS 1036990-42-7, is a valuable research-use chemical intermediate. It combines a pyridine core substituted with a trifluoromethyl group at position 2 and a pinacol boronic ester at position 4. The trifluoromethyl group often imparts unique electronic and lipophilic properties, while the pinacol boronic ester is a robust and widely utilized moiety for C-C bond formation, especially in Suzuki-Miyaura coupling reactions. This compound's structure makes it suitable for synthesizing complex pyridine-containing molecules relevant to medicinal chemistry and materials science.

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

86.0 °C

Boiling Point

262.0 °C

Density

1.3 g/cm³

Water Solubility

9.33 × 10⁻⁴ mol/L

Flash Point

91.0 °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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information.

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