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Pyridine, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-

CAS 2223054-08-6Formula C12H14BF4NO2MW 291.05PubChem 165341478

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine is a fluorinated pyridine derivative featuring a pinacol boronate ester group. This compound serves as a versatile building block in organic synthesis, particularly for constructing complex molecules through cross-coupling reactions.

Loading RDKit molecule structure...
InChIKey: DMYPFPWFTUPBCE-UHFFFAOYSA-NC12H14BF4NO2 | MW 291.05

Chemical Identity

Molecular Formula

C12H14BF4NO2

Molecular Weight

291.05 g/mol

Exact Mass

291.105372

PubChem CID

165341478

IUPAC Name

3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

SMILES String

CC1(C)OB(c2c(F)cncc2C(F)(F)F)OC1(C)C

Names & Synonyms

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)-5-(trifluoromethyl)pyridine
External Identifiers
DTXSID801124635CS-30285

Catalog Overview

This chemical, with CAS 2223054-08-6, is a highly functionalized pyridine intermediate. It incorporates a fluorine atom and a trifluoromethyl group on the pyridine ring, which can impart specific electronic and steric properties to target molecules. The key feature is the 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) group, a pinacol boronate ester, which is widely utilized in Suzuki-Miyaura cross-coupling reactions. This allows for the facile introduction of the fluorinated pyridine moiety into various chemical structures, making it valuable for the synthesis of novel pharmaceutical candidates, agrochemicals, and advanced...

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Read more catalog context

This chemical, with CAS 2223054-08-6, is a highly functionalized pyridine intermediate. It incorporates a fluorine atom and a trifluoromethyl group on the pyridine ring, which can impart specific electronic and steric properties to target molecules. The key feature is the 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) group, a pinacol boronate ester, which is widely utilized in Suzuki-Miyaura cross-coupling reactions. This allows for the facile introduction of the fluorinated pyridine moiety into various chemical structures, making it valuable for the synthesis of novel pharmaceutical candidates, agrochemicals, and advanced materials in research and development settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline solid

Physical State

Solid

Melting Point

97.0 °C

Boiling Point

242.0 °C

Density

1.45 g/cm³

Water Solubility

6.17 × 10⁻⁴ mol/L

Flash Point

115.0 °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. Work 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. Do not ingest. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information and disposal procedures.

Related Products / Graph Discovery

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

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