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CAS 914349-26-1

:

1,1-Dimethylethyl 3-bromo-4-(phenylmethoxy)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-bromo-4-(phenylmethoxy)-1H-indole-1-carboxylate, identified by its CAS number 914349-26-1, is a chemical compound that features a complex structure typical of indole derivatives. This substance contains an indole ring, which is a bicyclic structure composed of a benzene ring fused to a pyrrole ring, contributing to its aromatic properties. The presence of a carboxylate group indicates that it can participate in various chemical reactions, such as esterification or nucleophilic substitution. The bromine atom introduces a halogen functionality, which can enhance reactivity and influence the compound's biological activity. Additionally, the presence of a phenylmethoxy group suggests potential for interactions with biological targets, making it of interest in medicinal chemistry. The tert-butyl group (1,1-dimethylethyl) may enhance the compound's lipophilicity, affecting its solubility and permeability. Overall, this compound's unique structural features may confer specific pharmacological properties, warranting further investigation in drug development and chemical research.
Formula:C20H20BrNO3
InChI:InChI=1S/C20H20BrNO3/c1-20(2,3)25-19(23)22-12-15(21)18-16(22)10-7-11-17(18)24-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChI key:InChIKey=UACXJDPPSVYRDI-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=C(OCC3=CC=CC=C3)C=CC2)C(Br)=C1
Synonyms:
  • 1,1-Dimethylethyl 3-bromo-4-(phenylmethoxy)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-bromo-4-(phenylmethoxy)-, 1,1-dimethylethyl ester
  • tert-Butyl 4-(benzyloxy)-3-bromo-1H-indole-1-carboxylate
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