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CAS 1025719-14-5

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1,1-Dimethylethyl 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Description:
1,1-Dimethylethyl 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate is a complex organic compound characterized by its unique structural features, including a pyrrolo[2,3-b]pyridine core, a bromine substituent, and a boron-containing dioxaborolane moiety. This compound is likely to exhibit properties typical of heterocyclic compounds, such as potential biological activity and reactivity due to the presence of the bromine atom and the boron group, which can participate in various chemical reactions, including cross-coupling reactions. The presence of the dimethyl group enhances its steric bulk, which may influence its solubility and reactivity. Additionally, the carboxylate functional group suggests potential for forming salts or participating in acid-base reactions. Overall, this compound may be of interest in medicinal chemistry and materials science due to its structural complexity and potential applications in drug development or as a building block in organic synthesis.
Formula:C18H24BBrN2O4
InChI:InChI=1S/C18H24BBrN2O4/c1-16(2,3)24-15(23)22-10-13(12-8-11(20)9-21-14(12)22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChI key:InChIKey=SDQGAPHZJCNKFB-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=C(C=2C1=NC=C(Br)C2)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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