MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline

CAS 2772658-91-8Formula C13H17BF3NO2MW 287.09PubChem 163369415

This compound is a functionalized intermediate featuring a trifluoromethyl group and a pinacol boronate ester on an aniline core. It is primarily used in organic synthesis for creating more complex molecules, particularly through cross-coupling reactions.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

163369415

IUPAC Name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline

SMILES String

CC1(C)OB(c2cccc(N)c2C(F)(F)F)OC1(C)C

Names & Synonyms

H62296F5690083-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)Benzenamine
External Identifiers
SCHEMBL24457824DB-393775EN300-20786183

Catalog Overview

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287. 09 g/mol. It incorporates a trifluoromethyl group (-CF3) and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) moiety attached to an aniline benzene ring. The trifluoromethyl group is known for its electron-withdrawing properties and metabolic stability, while the pinacol boronate group is a versatile reagent for C-C bond formation, notably in Suzuki-Miyaura cross-coupling reactions.

Use Context

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

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287.09 g/mol. It incorporates a trifluoromethyl group (-CF3) and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) moiety attached to an aniline benzene ring. The trifluoromethyl group is known for its electron-withdrawing properties and metabolic stability, while the pinacol boronate group is a versatile reagent for C-C bond formation, notably in Suzuki-Miyaura cross-coupling reactions. This compound serves as a valuable building block in the synthesis of various pharmaceutical intermediates and other fine chemicals, leveraging its reactive boronate and functionalized aromatic core.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

375.0 °C

Density

1.22 g/cm³

Water Solubility

Slightly soluble

Flash Point

195.0 °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 comprehensive 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.