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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.

Similar products (text references)

2223035-07-0CAS 2223035-07-0
1309959-35-0CAS 1309959-35-0

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293339GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.