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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.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.