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5-(Cyclopropyl)-2-trifluoromethylpyridine-4-boronic acid

CAS 2225175-30-2Formula C9H9BF3NO2MW 230.98PubChem 133554670

5-(Cyclopropyl)-2-trifluoromethylpyridine-4-boronic acid is a versatile boronic acid derivative featuring a trifluoromethylpyridine core and a cyclopropyl substituent. It serves as a valuable building block in organic synthesis, particularly in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: UODQSACIVCCLBV-UHFFFAOYSA-NC9H9BF3NO2 | MW 230.98

Chemical Identity

Molecular Formula

C9H9BF3NO2

Molecular Weight

230.98 g/mol

Exact Mass

231.067843

PubChem CID

133554670

IUPAC Name

[5-cyclopropyl-2-(trifluoromethyl)-4-pyridinyl]boronic acid

SMILES String

OB(O)c1cc(C(F)(F)F)ncc1C1CC1

Names & Synonyms

(5-Cyclopropyl-2-(trifluoromethyl)pyridin-4-yl)boronic acid
External Identifiers
CS-35324

Catalog Overview

5-(Cyclopropyl)-2-trifluoromethylpyridine-4-boronic acid, with CAS 2225175-30-2, is a highly functionalized pyridine boronic acid. Its structure incorporates a pyridine ring substituted with a cyclopropyl group at position 5, a trifluoromethyl group at position 2, and a boronic acid moiety at position 4. This compound is primarily utilized as a key intermediate in various synthetic routes, especially in palladium-catalyzed cross-coupling reactions like the Suzuki-Miyaura coupling, to construct complex organic molecules. Its trifluoromethyl and cyclopropyl groups can introduce specific electronic and steric properties, making it...

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Read more catalog context

5-(Cyclopropyl)-2-trifluoromethylpyridine-4-boronic acid, with CAS 2225175-30-2, is a highly functionalized pyridine boronic acid. Its structure incorporates a pyridine ring substituted with a cyclopropyl group at position 5, a trifluoromethyl group at position 2, and a boronic acid moiety at position 4. This compound is primarily utilized as a key intermediate in various synthetic routes, especially in palladium-catalyzed cross-coupling reactions like the Suzuki-Miyaura coupling, to construct complex organic molecules. Its trifluoromethyl and cyclopropyl groups can introduce specific electronic and steric properties, making it valuable for developing novel compounds in research and development settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

155.0 °C

Boiling Point

280.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

160.0 °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 5-(Cyclopropyl)-2-trifluoromethylpyridine-4-boronic acid with appropriate personal protective equipment (PPE), including gloves, eye protection, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Prevent skin and eye contact, and do not ingest. Store in a cool, dry place, away from incompatible materials. Dispose of waste according to local regulations for chemical waste.

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