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CAS 864685-26-7

:

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

Description:
1,1-Dimethylethyl 5-cyano-3-iodo-1H-indole-1-carboxylate, identified by its CAS number 864685-26-7, 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, making it a part of a larger class of compounds known for their diverse biological activities. The presence of a cyano group (-CN) and an iodo substituent (I) on the indole ring suggests potential reactivity and applications in organic synthesis or medicinal chemistry. The tert-butyl group (1,1-dimethylethyl) attached to the carboxylate moiety enhances the compound's lipophilicity, potentially influencing its solubility and bioavailability. Overall, the unique combination of functional groups in this compound may contribute to its utility in various chemical reactions or as a precursor in the synthesis of more complex molecules. Further studies would be necessary to fully elucidate its properties and potential applications.
Formula:C14H13IN2O2
InChI:InChI=1S/C14H13IN2O2/c1-14(2,3)19-13(18)17-8-11(15)10-6-9(7-16)4-5-12(10)17/h4-6,8H,1-3H3
InChI key:InChIKey=GADLXNFRAAUWAD-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(I)=C1)=CC(C#N)=CC2
Synonyms:
  • 1,1-Dimethylethyl 5-cyano-3-iodo-1H-indole-1-carboxylate
  • 1-tert-Butoxycarbonyl-5-cyano-3-iodoindole
  • 1H-Indole-1-carboxylic acid, 5-cyano-3-iodo-, 1,1-dimethylethyl ester
  • 5-Cyano-3-iodoindole-1-carboxylic acid tert-butyl ester
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