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

CAS 2181780-09-4Formula C13H17BF3NO2MW 287.09PubChem 75486913

5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline is a functionalized organic intermediate featuring both a pinacol boronate ester and a trifluoromethylaniline group. It is primarily utilized as a versatile building block in organic synthesis.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

75486913

IUPAC Name

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

SMILES String

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

Names & Synonyms

SNJHQQKTSZCWPX-UHFFFAOYSA-ND73674F6149631-Amino-2-(trifluoromethyl)benzene-5-boronic Acid Pinacol Ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenamine
External Identifiers
MFCD24039705SCHEMBL19837088DB-154576CS-0069029EN300-7397303

Catalog Overview

This compound, with CAS 2181780-09-4, is a valuable research-use chemical characterized by its trifluoromethyl-substituted aniline moiety and a pinacol boronate ester. The boronate ester functionality makes it particularly suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, which can influence reaction selectivity and the properties of target molecules. As a functionalized intermediate, it serves as a key precursor for synthesizing more complex organic molecules in academic...

Use Context

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

This compound, with CAS 2181780-09-4, is a valuable research-use chemical characterized by its trifluoromethyl-substituted aniline moiety and a pinacol boronate ester. The boronate ester functionality makes it particularly suitable for various cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, which can influence reaction selectivity and the properties of target molecules. As a functionalized intermediate, it serves as a key precursor for synthesizing more complex organic molecules in academic and industrial research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

110.0 °C

Boiling Point

300.0 °C

Density

1.3 g/cm³

Water Solubility

Very slightly soluble

Flash Point

175.0 °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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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: 292149GHS Pictograms: GHS06, GHS07, GHS08Shipment 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.