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

CAS 1220219-16-8Formula C14H15BF3NO2MW 297.08PubChem 59534748

This compound is a functionalized intermediate featuring a benzonitrile core substituted with a trifluoromethyl group and a pinacol boronate ester. It is primarily used in organic synthesis as a versatile building block for research applications.

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

Chemical Identity

Molecular Formula

C14H15BF3NO2

Molecular Weight

297.08 g/mol

Exact Mass

297.114793

PubChem CID

59534748

SMILES String

CC1(C)OB(c2ccc(C#N)c(C(F)(F)F)c2)OC1(C)C

Names & Synonyms

JSUSIUYMBXTBLI-UHFFFAOYSA-ND93599F749495Z20497579824-Cyano-3-(trifluoromethyl)phenylboronic Acid Pinacol Ester
Show all synonyms
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzonitrile
External Identifiers
MFCD18383805SCHEMBL13089234DTXSID501136645AS-77060SY024424CS-0356450EN300-12597993

Catalog Overview

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzonitrile, with CAS 1220219-16-8, is an organoboron compound characterized by a benzonitrile moiety bearing a trifluoromethyl group at the 2-position and a pinacol boronate ester at the 4-position. This structure makes it a valuable reagent in various cross-coupling reactions, particularly Suzuki-Miyaura coupling, for the formation of carbon-carbon bonds. The trifluoromethyl group introduces electron-withdrawing properties, while the boronate ester provides a reactive site for further functionalization. It is typically employed in the synthesis of complex...

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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzonitrile, with CAS 1220219-16-8, is an organoboron compound characterized by a benzonitrile moiety bearing a trifluoromethyl group at the 2-position and a pinacol boronate ester at the 4-position. This structure makes it a valuable reagent in various cross-coupling reactions, particularly Suzuki-Miyaura coupling, for the formation of carbon-carbon bonds. The trifluoromethyl group introduces electron-withdrawing properties, while the boronate ester provides a reactive site for further functionalization. It is typically employed in the synthesis of complex organic molecules, pharmaceuticals, and agrochemicals in research and development settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

119.0 °C

Boiling Point

289.0 °C

Density

1.35 g/cm³

Water Solubility

5.01 × 10⁻⁵ mol/L

Flash Point

148.0 °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 under a 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 hazard information and safe handling procedures. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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