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CAS 943324-08-1

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2-Methyl-1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Description:
2-Methyl-1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is a complex organic compound characterized by its unique structural features, which include a pyrrolopyridine core, a sulfonyl group, and a boron-containing moiety. The presence of the phenylsulfonyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to enhance solubility and bioavailability. The tetramethyl-1,3,2-dioxaborolane unit indicates that the compound may participate in boron-mediated reactions, making it useful in synthetic organic chemistry. This compound is likely to exhibit specific reactivity patterns due to the electron-withdrawing nature of the sulfonyl group and the steric hindrance provided by the bulky boron moiety. Additionally, its molecular structure may influence its physical properties, such as solubility and stability, which are critical for its application in various chemical processes. Overall, this compound represents a valuable scaffold for further exploration in chemical synthesis and drug development.
Formula:C20H23BN2O4S
InChI:InChI=1S/C20H23BN2O4S/c1-14-17(21-26-19(2,3)20(4,5)27-21)16-12-9-13-22-18(16)23(14)28(24,25)15-10-7-6-8-11-15/h6-13H,1-5H3
InChI key:InChIKey=XRBIXDGVQKMCJG-UHFFFAOYSA-N
SMILES:CC1=C(C=2C(N1S(=O)(=O)C3=CC=CC=C3)=NC=CC2)B4OC(C)(C)C(C)(C)O4
Synonyms:
  • 2-Methyl-1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
  • 1H-Pyrrolo[2,3-b]pyridine, 2-methyl-1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 1-(Benzenesulfonyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
  • 2-Methyl-1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
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