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CAS 849069-54-1

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2-(2,3-Difluorophenyl)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone

Description:
2-(2,3-Difluorophenyl)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone, with CAS number 849069-54-1, is a complex organic compound characterized by its unique molecular structure that includes a difluorophenyl group and a pyrrolo[2,3-b]pyridine moiety. The presence of the boron-containing dioxaborolane group suggests potential applications in medicinal chemistry, particularly in drug design and development, due to its ability to form stable complexes with various biological targets. This compound may exhibit interesting pharmacological properties, influenced by the electronic effects of the fluorine substituents and the steric bulk of the tetramethyl dioxaborolane. Additionally, the ethanone functional group contributes to its reactivity, making it a candidate for further chemical modifications. Its solubility, stability, and reactivity profile would depend on the specific conditions under which it is studied, including solvent choice and temperature. Overall, this compound represents a valuable structure for research in organic synthesis and pharmaceutical applications.
Formula:C21H21BF2N2O3
InChI:InChI=1S/C21H21BF2N2O3/c1-20(2)21(3,4)29-22(28-20)13-9-14-15(11-26-19(14)25-10-13)17(27)8-12-6-5-7-16(23)18(12)24/h5-7,9-11H,8H2,1-4H3,(H,25,26)
InChI key:InChIKey=WNNZGMLPOOOBFT-UHFFFAOYSA-N
SMILES:C(CC1=C(F)C(F)=CC=C1)(=O)C=2C=3C(NC2)=NC=C(C3)B4OC(C)(C)C(C)(C)O4
Synonyms:
  • 2-(2,3-Difluorophenyl)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone
  • Ethanone, 2-(2,3-difluorophenyl)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
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