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2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)-5-(trifluoromethyl)aniline

CAS 1196972-92-5Formula C13H17BF3NO2MW 287.09PubChem 44521549

This compound is a trifluoromethyl-substituted aniline derivative featuring a pinacol boronate ester. It is primarily used as a versatile building block in organic synthesis, particularly for cross-coupling reactions in research settings.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

44521549

SMILES String

CC1(C)OB(c2ccc(C(F)(F)F)cc2N)OC1(C)C

Names & Synonyms

SKIXIDYMMJBOTF-UHFFFAOYSA-NF71923F7581215-(Trifluoromethyl)aniline-2-boronic Acid pinacol ester2-Amino-4-(trifluoromethyl)phenylboronic Acid Pinacol Ester
Show all synonyms
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzenamine5-(trifluoromethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
External Identifiers
MFCD16996232SCHEMBL24596359MB20254BS-44384SY279670DB-191583CS-0368684EN300-6249807

Catalog Overview

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)-5-(trifluoromethyl)aniline is an organic compound featuring an aniline moiety, a trifluoromethyl group, and a pinacol boronate ester. The trifluoromethyl group imparts electron-withdrawing characteristics, while the aniline group offers a nucleophilic site. The pinacol boronate ester is a stable and widely utilized functional group for palladium-catalyzed Suzuki-Miyaura cross-coupling reactions, enabling the efficient formation of new carbon-carbon bonds. This chemical serves as a valuable intermediate in the synthesis of complex organic molecules for research purposes.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline solid

Physical State

Solid

Melting Point

115.0 °C

Boiling Point

380.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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