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CAS 1373273-47-2

:

1-(1,1-Dimethylethyl) 2-borono-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-1H-pyrrolo[3,2-c]pyridine-1-carboxylate, with the CAS number 1373273-47-2, is a chemical compound characterized by its unique structural features that include a pyrrolopyridine core and a boron functional group. This compound typically exhibits properties associated with both boron-containing compounds and heterocyclic organic molecules. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and reactivity in organic solvents. The boron atom in the structure can participate in various chemical reactions, including those involving nucleophiles and electrophiles, making it a valuable intermediate in synthetic organic chemistry. Additionally, the carboxylate group may impart acidic characteristics, allowing for potential interactions in biological systems or catalysis. Overall, this compound's unique combination of functional groups suggests applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals, where boron-containing compounds are often explored for their biological activity.
Formula:C12H15BN2O4
InChI:InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-9-4-5-14-7-8(9)6-10(15)13(17)18/h4-7,17-18H,1-3H3
InChI key:InChIKey=KRXKAIXWQKYUFQ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CN=CC2
Synonyms:
  • 1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester
  • 1-(1,1-Dimethylethyl) 2-borono-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
  • [1-[(tert-Butoxy)carbonyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]boronic acid
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