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(3-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl)boronic acid

CAS 1704068-89-2Formula C13H17BF3NO2MW 287.09PubChem 91759165

A trifluoromethyl-substituted phenylboronic acid derivative featuring a methylpiperidine moiety, primarily used as a versatile building block in organic synthesis for research purposes.

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

Chemical Identity

Molecular Formula

C13H17BF3NO2

Molecular Weight

287.09 g/mol

Exact Mass

287.130443

PubChem CID

91759165

IUPAC Name

[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]boronic acid

SMILES String

CC1CCN(c2cc(B(O)O)cc(C(F)(F)F)c2)CC1

Names & Synonyms

3-(4-Methyl-1-piperidyl)-5-(trifluoromethyl)phenylboronic AcidI12099
External Identifiers
MFCD28384241starbld0017480SY391156

Catalog Overview

(3-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl)boronic acid is an organic compound characterized by a phenylboronic acid core substituted with a trifluoromethyl group and a 4-methylpiperidin-1-yl group. The boronic acid functionality makes it a valuable reagent in various cross-coupling reactions, such as Suzuki-Miyaura coupling, for forming carbon-carbon bonds. The trifluoromethyl group introduces electron-withdrawing properties and can enhance metabolic stability or lipophilicity in derived compounds. The methylpiperidine moiety adds a basic nitrogen and a cyclic amine structure, contributing to the overall molecular...

Use Context

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Read more catalog context

(3-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl)boronic acid is an organic compound characterized by a phenylboronic acid core substituted with a trifluoromethyl group and a 4-methylpiperidin-1-yl group. The boronic acid functionality makes it a valuable reagent in various cross-coupling reactions, such as Suzuki-Miyaura coupling, for forming carbon-carbon bonds. The trifluoromethyl group introduces electron-withdrawing properties and can enhance metabolic stability or lipophilicity in derived compounds. The methylpiperidine moiety adds a basic nitrogen and a cyclic amine structure, contributing to the overall molecular architecture. This compound is typically employed in research and development for the synthesis of complex organic molecules, including potential pharmaceutical intermediates and agrochemicals.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

150.0 °C

Boiling Point

350.0 °C

Density

1.25 g/cm³

Water Solubility

Slightly soluble

Flash Point

195.0 °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. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.

Related Products / Graph Discovery

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