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

CAS 510771-54-7Formula C13H17BF3NO2MW 287.09PubChem 53217135

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline is a versatile research chemical featuring a boronic acid pinacol ester, an aniline group, and a trifluoromethyl substituent. It serves as a key building block in organic synthesis, particularly for constructing complex molecules via cross-coupling reactions.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

53217135

SMILES String

CC1(C)OB(c2cc(N)cc(C(F)(F)F)c2)OC1(C)C

Names & Synonyms

873-106-53-AMINO-5-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER3-Amino-5-trifluoromethylphenylboronic acid pinacol esterF333156Z2049755165
Show all synonyms
3-Amino-5-(trifluoromethyl)phenylboronic Acid Pinacol Ester3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5-(TRIFLUOROMETHYL)ANILINE
External Identifiers
DTXSID30682237RefChem:274272DTXCID00632986MFCD16996234SCHEMBL6791563SCHEMBL31243051AKOS022184108MB20260AS-55353SY358360DB-348090CS-0175351EN300-7372475

Catalog Overview

This compound, with CAS 510771-54-7, is a highly functionalized aniline derivative incorporating a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronic ester) group and a trifluoromethyl group on a phenyl ring. The boronic ester moiety makes it an excellent substrate for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group can impart unique electronic and steric properties, while the aniline group provides a site for further derivatization, such as acylation or diazotization. It is primarily used as a synthetic intermediate in the development of novel...

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Read more catalog context

This compound, with CAS 510771-54-7, is a highly functionalized aniline derivative incorporating a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronic ester) group and a trifluoromethyl group on a phenyl ring. The boronic ester moiety makes it an excellent substrate for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group can impart unique electronic and steric properties, while the aniline group provides a site for further derivatization, such as acylation or diazotization. It is primarily used as a synthetic intermediate in the development of novel chemical entities for research purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline solid

Physical State

Solid

Melting Point

145.0 °C

Boiling Point

294.0 °C

Density

1.3 g/cm³

Water Solubility

4.79 × 10⁻⁴ mol/L

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 (PPE) 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. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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