Active Chemical RecordCatalog PreviewCatalog ready

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

CAS 2170501-97-8Formula C13H17BF3NO2MW 287.09PubChem 133662160

This is a trifluoromethylated pyridine derivative featuring a pinacol boronate ester, making it a valuable building block for Suzuki-Miyaura coupling and other cross-coupling reactions in organic synthesis.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

133662160

SMILES String

Cc1cnc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1

Names & Synonyms

XKHXSRJQCMAADT-UHFFFAOYSA-N
External Identifiers
SCHEMBL19743736CS-33067

Catalog Overview

5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine is a sophisticated organic compound characterized by a pyridine core substituted with a methyl group, a trifluoromethyl group, and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) moiety. With a molecular formula of C13H17BF3NO2 and a molecular weight of 287. 09, this compound serves as a highly reactive and versatile intermediate. The pinacol boronate group is particularly useful for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds.

Use Context

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

5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine is a sophisticated organic compound characterized by a pyridine core substituted with a methyl group, a trifluoromethyl group, and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) moiety. With a molecular formula of C13H17BF3NO2 and a molecular weight of 287.09, this compound serves as a highly reactive and versatile intermediate. The pinacol boronate group is particularly useful for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group often enhances lipophilicity, metabolic stability, and binding affinity in drug discovery contexts, while the pyridine ring is a common scaffold in pharmaceuticals and agrochemicals. This compound is primarily intended for research and development applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

310.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

175.0 °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. 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

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

Related products and analog discovery will be available as catalog graph data is expanded.