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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...

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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.

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