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

CAS 508223-55-0Formula C13H17BF3NO2MW 287.09PubChem 72221111

This compound is a functionalized intermediate featuring an aniline group, a trifluoromethyl group, and a pinacol boronate ester. It is primarily used in organic synthesis, particularly in cross-coupling reactions, as a versatile building block for creating more complex molecules for research purposes.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

72221111

IUPAC Name

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

SMILES String

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

Names & Synonyms

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-BENZENAMINEMPVAGHXDGGCCHU-UHFFFAOYSA-NW19219F6278114-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
Show all synonyms
2-(trifluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneamine
External Identifiers
RefChem:287757MFCD16996231SCHEMBL18530597DTXSID501136988AKOS027425820MB20252AS-55705DB-194488CS-0189722EN300-3256272

Catalog Overview

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenamine, identified by CAS 508223-55-0, is a functionalized organic compound featuring a trifluoromethyl group, an amino group, and a pinacol boronate ester moiety on a benzene ring. The trifluoromethyl group often imparts unique electronic and lipophilic properties, while the amino group can participate in various derivatizations. The boronate ester is a key feature, making this compound a valuable reagent in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. Its structure positions it as a versatile intermediate for...

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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenamine, identified by CAS 508223-55-0, is a functionalized organic compound featuring a trifluoromethyl group, an amino group, and a pinacol boronate ester moiety on a benzene ring. The trifluoromethyl group often imparts unique electronic and lipophilic properties, while the amino group can participate in various derivatizations. The boronate ester is a key feature, making this compound a valuable reagent in Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. Its structure positions it as a versatile intermediate for the synthesis of pharmaceuticals, agrochemicals, and advanced materials in research and development settings. This product is for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

152.0 °C

Boiling Point

294.0 °C

Density

1.4 g/cm³

Water Solubility

4.79 × 10⁻⁴ mol/L

Flash Point

135.0 °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. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling. This product is for research use only and not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

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