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CAS 1004552-89-9

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1-(1,1-Dimethylethyl) 2-borono-5-hydroxy-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-5-hydroxy-1H-indole-1-carboxylate, with the CAS number 1004552-89-9, is a chemical compound that features a boron atom, which is typically involved in various organic reactions, particularly in the formation of carbon-boron bonds. This compound contains an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring, known for its presence in many biologically active molecules. The presence of a hydroxyl group (-OH) and a carboxylate group (-COO-) indicates potential for hydrogen bonding and reactivity, making it useful in various synthetic applications. The tert-butyl group (1,1-dimethylethyl) contributes to the compound's hydrophobic characteristics, potentially influencing its solubility and interaction with biological systems. Overall, this compound may be of interest in medicinal chemistry and materials science due to its unique structural features and functional groups, which can facilitate diverse chemical reactivity and biological activity.
Formula:C13H16BNO5
InChI:InChI=1S/C13H16BNO5/c1-13(2,3)20-12(17)15-10-5-4-9(16)6-8(10)7-11(15)14(18)19/h4-7,16,18-19H,1-3H3
InChI key:InChIKey=QVJPPNLAVGTFBS-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(O)=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-5-hydroxy-1H-indole-1-carboxylate
  • [1-[(tert-Butoxy)carbonyl]-5-hydroxy-1H-indol-2-yl]boronic acid
  • 1H-Indole-1-carboxylic acid, 2-borono-5-hydroxy-, 1-(1,1-dimethylethyl) ester
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