Active Chemical RecordCatalog PreviewCatalog ready

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrile

CAS 1449475-41-5Formula C14H15BF3NO2MW 297.08PubChem 86699037

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrile is a research-use chemical intermediate. It features a benzonitrile core with a trifluoromethyl group and a pinacol boronate ester. This compound is primarily used as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the construction of complex molecules for pharmaceutical and material science research.

Loading RDKit molecule structure...
InChIKey: ARMLMKVJFGMKQM-UHFFFAOYSA-NC14H15BF3NO2 | MW 297.08

Chemical Identity

Molecular Formula

C14H15BF3NO2

Molecular Weight

297.08 g/mol

Exact Mass

297.114793

PubChem CID

86699037

SMILES String

CC1(C)OB(c2ccc(C#N)cc2C(F)(F)F)OC1(C)C

Names & Synonyms

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrileARMLMKVJFGMKQM-UHFFFAOYSA-NF848066Z2049758166
External Identifiers
SCHEMBL15156237AT27067EN300-12599237

Catalog Overview

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrile is a highly functionalized organic compound featuring a benzonitrile core substituted with both a trifluoromethyl group and a pinacol boronate ester. The trifluoromethyl group is a strong electron-withdrawing moiety, influencing the electronic properties and reactivity of the aromatic ring. The nitrile group serves as a versatile synthetic handle, capable of undergoing various transformations. Most notably, the pinacol boronate ester provides a robust and widely utilized platform for carbon-carbon bond formation, particularly in Suzuki-Miyaura...

Use Context

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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrile is a highly functionalized organic compound featuring a benzonitrile core substituted with both a trifluoromethyl group and a pinacol boronate ester. The trifluoromethyl group is a strong electron-withdrawing moiety, influencing the electronic properties and reactivity of the aromatic ring. The nitrile group serves as a versatile synthetic handle, capable of undergoing various transformations. Most notably, the pinacol boronate ester provides a robust and widely utilized platform for carbon-carbon bond formation, particularly in Suzuki-Miyaura cross-coupling reactions. This combination of functional groups makes it a valuable building block in complex organic synthesis, especially in medicinal chemistry and materials science for the construction of novel molecular architectures.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

130.0 °C

Boiling Point

410.0 °C

Density

1.35 g/cm³

Water Solubility

Insoluble

Flash Point

220.0 °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 a fume hood to avoid inhalation. Prevent contact with skin and eyes. Do not ingest. In case of contact, rinse immediately with plenty of water and seek medical advice. Store in a cool, dry, and well-sealed container away from incompatible materials. Dispose of waste according to local regulations.

Related Products / Graph Discovery

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

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS 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.