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CAS 192189-13-2

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

Description:
1,1-Dimethylethyl 5-fluoro-3-iodo-1H-indole-1-carboxylate, with the CAS number 192189-13-2, is a chemical compound that belongs to the indole family, characterized by its indole core structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This specific compound features a carboxylate functional group, which contributes to its reactivity and potential applications in organic synthesis. The presence of both fluorine and iodine substituents on the indole ring introduces unique electronic and steric properties, which can influence its biological activity and interactions with other molecules. The tert-butyl group (1,1-dimethylethyl) enhances the lipophilicity of the compound, potentially affecting its solubility and permeability in biological systems. Such characteristics make it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Overall, this compound exemplifies the complexity and diversity of indole derivatives, which are often explored for their therapeutic potential.
Formula:C13H13FINO2
InChI:InChI=1S/C13H13FINO2/c1-13(2,3)18-12(17)16-7-10(15)9-6-8(14)4-5-11(9)16/h4-7H,1-3H3
InChI key:InChIKey=DGGDRRGYXBFEIU-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(I)=C1)=CC(F)=CC2
Synonyms:
  • 1,1-Dimethylethyl 5-fluoro-3-iodo-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylicacid, 5-fluoro-3-iodo-, 1,1-dimethylethylester
  • N-Boc-5-fluoro-3-iodoindole
  • tert-Butyl 5-fluoro-3-iodo-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 5-fluoro-3-iodo-, 1,1-dimethylethyl ester
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