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2-Trifluoromethyl-4-(4-methylpiperidin-1-yl)phenylboronic acid

CAS 2225169-20-8Formula C13H17BF3NO2MW 287.09PubChem 133555146

This compound is a phenylboronic acid derivative featuring a trifluoromethyl group and a 4-methylpiperidin-1-yl substituent. It is primarily used as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura coupling reactions for the construction of complex molecules in research settings.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

133555146

IUPAC Name

[4-(4-methylpiperidin-1-yl)-2-(trifluoromethyl)phenyl]boronic acid

SMILES String

CC1CCN(c2ccc(B(O)O)c(C(F)(F)F)c2)CC1

Names & Synonyms

(4-(4-Methylpiperidin-1-yl)-2-(trifluoromethyl)phenyl)boronic acid
External Identifiers
CS-34444

Catalog Overview

2-Trifluoromethyl-4-(4-methylpiperidin-1-yl)phenylboronic acid, identified by CAS 2225169-20-8, is a sophisticated organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287. 09. This boronic acid derivative incorporates a trifluoromethyl group, known for its electron-withdrawing properties, and a 4-methylpiperidin-1-yl moiety, which can introduce steric bulk and modulate solubility. As a functionalized intermediate, it is highly valuable in synthetic chemistry, especially for forming carbon-carbon bonds through cross-coupling reactions.

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Read more catalog context

2-Trifluoromethyl-4-(4-methylpiperidin-1-yl)phenylboronic acid, identified by CAS 2225169-20-8, is a sophisticated organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287.09. This boronic acid derivative incorporates a trifluoromethyl group, known for its electron-withdrawing properties, and a 4-methylpiperidin-1-yl moiety, which can introduce steric bulk and modulate solubility. As a functionalized intermediate, it is highly valuable in synthetic chemistry, especially for forming carbon-carbon bonds through cross-coupling reactions. Its unique structural features make it suitable for the synthesis of novel pharmaceutical intermediates, agrochemicals, and materials science compounds in research and development laboratories.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

405.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

250.0 °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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information. For research use only.

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