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CAS 914349-25-0

:

1,1-Dimethylethyl 3-iodo-5-methyl-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-iodo-5-methyl-1H-indole-1-carboxylate, identified by its CAS number 914349-25-0, is a chemical compound that belongs to the indole family, characterized by its indole ring structure fused with a carboxylate group. This compound features a tert-butyl group (1,1-dimethylethyl) which enhances its lipophilicity and may influence its biological activity. The presence of an iodine atom at the 3-position and a methyl group at the 5-position of the indole ring contributes to its unique reactivity and potential applications in medicinal chemistry. The carboxylate functional group suggests that it may participate in various chemical reactions, including esterification and nucleophilic substitutions. This compound may exhibit interesting pharmacological properties, making it a subject of interest in drug discovery and development. As with many organic compounds, its stability, solubility, and reactivity can be influenced by environmental factors such as temperature and pH. Proper handling and storage conditions are essential to maintain its integrity for research and application purposes.
Formula:C14H16INO2
InChI:InChI=1S/C14H16INO2/c1-9-5-6-12-10(7-9)11(15)8-16(12)13(17)18-14(2,3)4/h5-8H,1-4H3
InChI key:InChIKey=MCEHWHPEDUZTAJ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(I)=C1)=CC(C)=CC2
Synonyms:
  • 3-Iodo-5-methyl-1H-indole-1-carboxylic acid tert-butyl ester
  • 1,1-Dimethylethyl 3-iodo-5-methyl-1H-indole-1-carboxylate
  • N-Boc-3-iodo-5-methylindole
  • 1H-Indole-1-carboxylic acid, 3-iodo-5-methyl-, 1,1-dimethylethyl ester
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