MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

CAS 2223042-76-8Formula C13H14BF3N2O2MW 298.07PubChem 133550577

This compound is a functionalized pyridine derivative featuring a pinacol boronate ester and a trifluoromethyl group, making it a versatile building block in organic synthesis for research applications.

Loading RDKit molecule structure...
InChIKey: QSQIAYBVILTVRY-UHFFFAOYSA-NC13H14BF3N2O2 | MW 298.07

Chemical Identity

Molecular Formula

C13H14BF3N2O2

Molecular Weight

298.07 g/mol

Exact Mass

298.110042

PubChem CID

133550577

IUPAC Name

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

SMILES String

CC1(C)OB(c2cc(C(F)(F)F)ncc2C#N)OC1(C)C

Names & Synonyms

5-Cyano-2-trifluoromethylpyridine-4-boronic acid pinacol ester[5-Cyano-2-(trifluoromethyl)pyridin-4-yl]boronic Acid Pinacol Ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)nicotinonitrile
External Identifiers
MFCD18723349CS-33056

Catalog Overview

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile, identified by CAS 2223042-76-8, is a meticulously designed organic intermediate. It incorporates a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group at the 4-position and a trifluoromethyl group at the 6-position of a pyridine-3-carbonitrile core. This unique combination of functional groups renders it highly valuable in various synthetic methodologies, particularly in Suzuki-Miyaura cross-coupling reactions for constructing complex molecular architectures. Its trifluoromethyl moiety can impart specific electronic and steric...

Use Context

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

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile, identified by CAS 2223042-76-8, is a meticulously designed organic intermediate. It incorporates a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group at the 4-position and a trifluoromethyl group at the 6-position of a pyridine-3-carbonitrile core. This unique combination of functional groups renders it highly valuable in various synthetic methodologies, particularly in Suzuki-Miyaura cross-coupling reactions for constructing complex molecular architectures. Its trifluoromethyl moiety can impart specific electronic and steric properties to target molecules, while the boronate ester serves as a robust handle for C-C bond formation. This compound is intended for research and development purposes only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

140.0 °C

Boiling Point

350.0 °C

Density

1.3 g/cm³

Water Solubility

Insoluble

Flash Point

170.0 °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. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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.