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CAS 1092460-53-1

:

1,1-Dimethylethyl 5-bromo-2,3-dihydro-4-hydroxy-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 5-bromo-2,3-dihydro-4-hydroxy-1H-indole-1-carboxylate, identified by its CAS number 1092460-53-1, is a chemical compound characterized by its complex structure, which includes an indole moiety, a carboxylate group, and a bromine substituent. The presence of the 1,1-dimethylethyl group suggests that it may exhibit steric hindrance, potentially influencing its reactivity and interactions with other molecules. The hydroxyl group contributes to its potential as a hydrogen bond donor, while the bromine atom may enhance its electrophilic properties. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for biological activity. Additionally, the dihydroindole framework indicates that it may participate in various chemical reactions, including those typical of indole derivatives. Overall, the unique combination of functional groups and structural elements in this compound suggests potential applications in pharmaceuticals or organic synthesis, warranting further investigation into its properties and reactivity.
Formula:C13H16BrNO3
InChI:InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(17)15-7-6-8-10(15)5-4-9(14)11(8)16/h4-5,16H,6-7H2,1-3H3
InChI key:InChIKey=QYERGTSMRWEZEL-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(CC1)=C(O)C(Br)=CC2
Synonyms:
  • 1H-Indole-1-carboxylic acid, 5-bromo-2,3-dihydro-4-hydroxy-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5-bromo-2,3-dihydro-4-hydroxy-1H-indole-1-carboxylate
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