Active Chemical RecordCatalog PreviewCatalog ready

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...

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 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.

Similar products (text references)

3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridineCAS 2121511-95-1
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridineCAS 917969-86-9
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)anilineCAS 1058062-64-8
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridineCAS 1888460-27-2
2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridineCAS 1356579-72-0

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.