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CAS 866546-11-4

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5-Chloro-1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Description:
5-Chloro-1-[(4-methylphenyl)sulfonyl]-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, including a pyrrolo[2,3-b]pyridine core, a sulfonyl group, and a boron-containing moiety. The presence of the chloro substituent and the sulfonyl group contributes to its potential reactivity and solubility properties. The compound is likely to exhibit moderate to high lipophilicity due to the presence of the 4-methylphenyl group and the bulky tetramethyl-dioxaborolane, which may influence its interactions in biological systems. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The boron-containing group may also impart unique properties relevant to catalysis or material science. Overall, this compound's intricate structure and functional groups make it a subject of interest for further research in various chemical and biological applications.
Formula:C20H22BClN2O4S
InChI:InChI=1S/C20H22BClN2O4S/c1-13-6-8-15(9-7-13)29(25,26)24-12-17(16-10-14(22)11-23-18(16)24)21-27-19(2,3)20(4,5)28-21/h6-12H,1-5H3
InChI key:InChIKey=FYARTQIITABLRT-UHFFFAOYSA-N
SMILES:S(=O)(=O)(N1C=2C(C(=C1)B3OC(C)(C)C(C)(C)O3)=CC(Cl)=CN2)C4=CC=C(C)C=C4
Synonyms:
  • 5-Chloro-1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
  • 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 5-Chloro-1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
  • 5-Chloro-1-(p-tolylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
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