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CAS 914349-15-8

:

1,1-Dimethylethyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate, identified by its CAS number 914349-15-8, 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 nitro group at the 7-position of the indole ring suggests potential reactivity and biological activity, as nitro groups can participate in various chemical transformations. Additionally, the hydroxymethyl group at the 3-position and the tert-butyl ester (1,1-dimethylethyl) at the carboxylate position enhance its solubility and stability. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its specific characteristics, such as melting point, solubility, and reactivity, would depend on the precise molecular interactions and the environment in which it is studied. Further research would be necessary to fully elucidate its potential applications and biological effects.
Formula:C14H16N2O5
InChI:InChI=1S/C14H16N2O5/c1-14(2,3)21-13(18)15-7-9(8-17)10-5-4-6-11(12(10)15)16(19)20/h4-7,17H,8H2,1-3H3
InChI key:InChIKey=QVGICZVMKUNGTL-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(CO)=C1)=CC=CC2N(=O)=O
Synonyms:
  • 1,1-Dimethylethyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-(hydroxymethyl)-7-nitro-, 1,1-dimethylethyl ester
  • tert-Butyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate
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