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CAS 1318104-14-1

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1,1-Dimethylethyl 5-bromo-3-hydroxy-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 5-bromo-3-hydroxy-1H-indole-1-carboxylate, with the CAS number 1318104-14-1, is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a bromo substituent at the 5-position and a hydroxy group at the 3-position of the indole ring, contributing to its reactivity and potential biological activity. The presence of the carboxylate group indicates that it can participate in various chemical reactions, including esterification and nucleophilic substitution. The tert-butyl group (1,1-dimethylethyl) enhances the lipophilicity of the molecule, which may influence its solubility and permeability in biological systems. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. Its specific applications and interactions would depend on further studies and characterization.
Formula:C13H14BrNO3
InChI:InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-11(16)9-6-8(14)4-5-10(9)15/h4-7,16H,1-3H3
InChI key:InChIKey=UYKJMKACHJGPMV-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(O)=C1)=CC(Br)=CC2
Synonyms:
  • 1,1-Dimethylethyl 5-bromo-3-hydroxy-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 5-bromo-3-hydroxy-, 1,1-dimethylethyl ester
  • tert-Butyl 5-bromo-3-hydroxy-1H-indole-1-carboxylate
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