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

CAS 1310405-06-1Formula C12H15BF3NO2MW 273.06PubChem 53398060

This compound is a trifluoromethylated pyridine derivative featuring a pinacol boronic ester, making it a valuable building block in organic synthesis, particularly for cross-coupling reactions in research settings.

Loading RDKit molecule structure...
InChIKey: SDGOTRHPGTVUOZ-UHFFFAOYSA-NC12H15BF3NO2 | MW 273.06

Chemical Identity

Molecular Formula

C12H15BF3NO2

Molecular Weight

273.06 g/mol

Exact Mass

273.114793

PubChem CID

53398060

SMILES String

CC1(C)OB(c2cnccc2C(F)(F)F)OC1(C)C

Names & Synonyms

4-(Trifluoromethyl)pyridine-3-boronic acid pinacol esterPyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-4-(Trifluoromethyl)pyridine-3-boronic acid, pinacol esterSDGOTRHPGTVUOZ-UHFFFAOYSA-NF10607
Show all synonyms
F243581Z13671257834-(Trifluoromethyl)pyridine-3-boronic acid; pinacol ester3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (4-(trifluoromethyl)pyridin-3-yl)boronate4-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine, 1310405-06-1, MolPort-019-937-942, AKOS015950174, MB11709, AK119454, KB-105156, C-2390, 4-(Trifluoromethyl)pyridine-3-boronic acid, pinacol ester, 4-(TRIFLUOROMETHYL)PYRIDIN-3-YLBORONIC ACID PINACOL ESTER
External Identifiers
MFCD12198140SCHEMBL21598612DTXSID00694408AKOS015950174MB11709AS-46816SY033945DB-228918CS-0051755EN300-103938

Catalog Overview

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine is a highly functionalized organic compound. It incorporates a pyridine ring substituted with a trifluoromethyl group at the 4-position and a pinacol boronic ester at the 3-position. The trifluoromethyl group is known for its electron-withdrawing properties and metabolic stability, while the pinacol boronic ester is a versatile moiety commonly employed in Suzuki-Miyaura cross-coupling reactions. This combination makes the compound a key intermediate for synthesizing complex molecules with potential applications in medicinal chemistry and materials science....

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Read more catalog context

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine is a highly functionalized organic compound. It incorporates a pyridine ring substituted with a trifluoromethyl group at the 4-position and a pinacol boronic ester at the 3-position. The trifluoromethyl group is known for its electron-withdrawing properties and metabolic stability, while the pinacol boronic ester is a versatile moiety commonly employed in Suzuki-Miyaura cross-coupling reactions. This combination makes the compound a key intermediate for synthesizing complex molecules with potential applications in medicinal chemistry and materials science. It is intended for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

86.0 °C

Boiling Point

242.0 °C

Density

1.3 g/cm³

Water Solubility

9.33 × 10⁻⁴ mol/L

Flash Point

135.0 °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. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

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