CAS 1220696-58-1

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

Description:

3-(Difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, identified by its CAS number 1220696-58-1, is a chemical compound that features a pyridine ring substituted with a difluoromethyl group and a boron-containing moiety. The presence of the difluoromethyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the unique electronic and steric properties imparted by the fluorine atoms. The boron-containing dioxaborolane structure is notable for its ability to participate in various chemical reactions, including cross-coupling reactions, making it valuable in organic synthesis. This compound may exhibit interesting solubility characteristics and reactivity profiles, influenced by the electron-withdrawing nature of the difluoromethyl group and the boron atom's coordination chemistry. Overall, its structural features suggest potential utility in both synthetic and applied chemistry contexts, particularly in the design of new materials or biologically active compounds.

Formula: C₁₂H₁₆BF₂NO₂

InChI: InChI=1S/C12H16BF2NO2/c1-11(2)12(3,4)18-13(17-11)9-5-8(10(14)15)6-16-7-9/h5-7,10H,1-4H3

InChI key: InChIKey=RDERAJSLRZKDAV-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C=2C=C(C(F)F)C=NC2

Synonyms:

• 3-(Difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Pyridine, 3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-