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2,3,6-Trifluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline

CAS 2449264-10-0Formula C12H15BF3NO2MW 273.06PubChem 153634296

This compound is a trifluorinated aniline derivative featuring a pinacol boronate ester group. It is primarily used as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, in research settings.

Loading RDKit molecule structure...
InChIKey: NTBYQIBBPOTFCQ-UHFFFAOYSA-NC12H15BF3NO2 | MW 273.06

Chemical Identity

Molecular Formula

C12H15BF3NO2

Molecular Weight

273.06 g/mol

Exact Mass

273.114793

PubChem CID

153634296

SMILES String

CC1(C)OB(c2cc(F)c(N)c(F)c2F)OC1(C)C

Names & Synonyms

2,3,6-Trifluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamineF570379
External Identifiers
SCHEMBL22190744AT23398EN300-33878209

Catalog Overview

2,3,6-Trifluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline, with CAS 2449264-10-0, is a highly functionalized organic compound. It combines a trifluorinated aniline moiety, which can serve as a nucleophilic or electrophilic aromatic component, with a pinacol boronate ester group. The boronate ester is a well-established reagent for carbon-carbon bond formation, notably in Suzuki-Miyaura coupling reactions, allowing for the introduction of the trifluoroaniline scaffold into more complex molecular structures. Its trifluorination provides specific electronic and steric properties that can influence reactivity and the...

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Read more catalog context

2,3,6-Trifluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)aniline, with CAS 2449264-10-0, is a highly functionalized organic compound. It combines a trifluorinated aniline moiety, which can serve as a nucleophilic or electrophilic aromatic component, with a pinacol boronate ester group. The boronate ester is a well-established reagent for carbon-carbon bond formation, notably in Suzuki-Miyaura coupling reactions, allowing for the introduction of the trifluoroaniline scaffold into more complex molecular structures. Its trifluorination provides specific electronic and steric properties that can influence reactivity and the properties of final products. This chemical is intended for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

120.0 °C

Boiling Point

380.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

180.0 °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 consult the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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