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2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine

CAS 1218790-05-6Formula C12H14BClF3NO2MW 307.5PubChem 49760484

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine is a functionalized pyridine derivative featuring a chloro group, a trifluoromethyl group, and a pinacol boronate ester. It serves as a versatile building block in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: AQRLOVKDJVLZSA-UHFFFAOYSA-NC12H14BClF3NO2 | MW 307.5

Chemical Identity

Molecular Formula

C12H14BClF3NO2

Molecular Weight

307.5 g/mol

Exact Mass

307.075821

PubChem CID

49760484

SMILES String

CC1(C)OB(c2cc(Cl)nc(C(F)(F)F)c2)OC1(C)C

Names & Synonyms

865-524-12-CHLORO-6-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTERPyridine, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-2-CHLORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-6-(TRIFLUOROMETHYL)PYRIDINEAQRLOVKDJVLZSA-UHFFFAOYSA-N
Show all synonyms
N11806F232270Z20447667152-Chloro-6-(trifluoromethyl)pyridine-4-boronic acid, pinacol ester
External Identifiers
DTXSID80678226RefChem:258680DTXCID50628975MFCD13195760SCHEMBL17667912SCHEMBL29502772AKOS016006528AS-55242DA-26624SY418698CS-0096518EN300-7375073

Catalog Overview

This compound, 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine, is a halogenated and trifluoromethylated pyridine derivative. The presence of the pinacol boronate ester at the 4-position makes it highly suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling. The chloro and trifluoromethyl groups on the pyridine ring provide opportunities for further functionalization or introduce specific electronic and steric properties, making it a valuable intermediate in the synthesis of complex organic molecules, including potential pharmaceutical and agrochemical candidates for...

Use Context

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

This compound, 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine, is a halogenated and trifluoromethylated pyridine derivative. The presence of the pinacol boronate ester at the 4-position makes it highly suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling. The chloro and trifluoromethyl groups on the pyridine ring provide opportunities for further functionalization or introduce specific electronic and steric properties, making it a valuable intermediate in the synthesis of complex organic molecules, including potential pharmaceutical and agrochemical candidates for research use.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

137.0 °C

Boiling Point

264.0 °C

Density

1.45 g/cm³

Water Solubility

4.17 × 10⁻⁴ mol/L

Flash Point

145.0 °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. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place away from incompatible materials.

Related Products / Graph Discovery

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