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

CAS 882679-08-5Formula C13H17BF3NO2MW 287.09PubChem 69461876

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzenamine is a functionalized aromatic compound featuring an aniline group, a trifluoromethyl group, and a pinacol boronic ester. It serves as a versatile building block in organic synthesis.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

69461876

IUPAC Name

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

SMILES String

CC1(C)OB(c2cc(N)ccc2C(F)(F)F)OC1(C)C

Names & Synonyms

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline896-801-5F83769F7494475-Amino-2-(trifluoromethyl)phenylboronic Acid Pinacol Ester
External Identifiers
DTXSID701137663RefChem:492241DTXCID401569295MFCD22493719SCHEMBL5495681SY342219DB-338879CS-0356363EN300-306099

Catalog Overview

This compound, with CAS 882679-08-5, is a key chemical intermediate characterized by the presence of an amino group, a trifluoromethyl substituent, and a pinacol boronic ester moiety on a benzene ring. The trifluoromethyl group often enhances lipophilicity and metabolic stability in target molecules, while the pinacol boronic ester is a highly reactive and widely utilized functional group for carbon-carbon bond formation, particularly in Suzuki-Miyaura cross-coupling reactions. The aniline functionality provides a site for further derivatization. This combination of functional groups makes it valuable for synthesizing complex...

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Read more catalog context

This compound, with CAS 882679-08-5, is a key chemical intermediate characterized by the presence of an amino group, a trifluoromethyl substituent, and a pinacol boronic ester moiety on a benzene ring. The trifluoromethyl group often enhances lipophilicity and metabolic stability in target molecules, while the pinacol boronic ester is a highly reactive and widely utilized functional group for carbon-carbon bond formation, particularly in Suzuki-Miyaura cross-coupling reactions. The aniline functionality provides a site for further derivatization. This combination of functional groups makes it valuable for synthesizing complex organic molecules, especially those with fluorinated aromatic systems, for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

145.0 °C

Boiling Point

294.0 °C

Density

1.4 g/cm³

Water Solubility

4.79 × 10⁻⁴ mol/L

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 (PPE) including gloves, eye protection, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information and proper disposal procedures.

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: 293190GHS Pictograms: GHS06, GHS07Shipment 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.