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CAS 914349-32-9

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

Description:
1,1-Dimethylethyl 3-iodo-5-nitro-1H-indole-1-carboxylate, with the CAS number 914349-32-9, is a chemical compound that features a complex structure characteristic of indole derivatives. This compound 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 (-NO2) and an iodo substituent (-I) on the indole ring enhances its reactivity and potential applications in organic synthesis. The ester functional group (-COO-) indicates that it can undergo hydrolysis or transesterification reactions. The tert-butyl group (1,1-dimethylethyl) provides steric hindrance, which can influence the compound's reactivity and solubility. Overall, this compound may exhibit interesting biological activities and could be of interest in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Its specific properties, such as solubility, melting point, and reactivity, would need to be determined through experimental studies.
Formula:C13H13IN2O4
InChI:InChI=1S/C13H13IN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-6-8(16(18)19)4-5-11(9)15/h4-7H,1-3H3
InChI key:InChIKey=AHNPSRXYIVESJP-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=CC(N(=O)=O)=CC2)C(I)=C1
Synonyms:
  • 1H-Indole-1-carboxylic acid, 3-iodo-5-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-iodo-5-nitro-1H-indole-1-carboxylate
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