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CAS 2007920-44-5

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1,1-Dimethylethyl 6-cyano-3-iodo-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 6-cyano-3-iodo-1H-indole-1-carboxylate, identified by its CAS number 2007920-44-5, 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 cyano group (-CN) and an iodo substituent (I) at specific positions on the indole ring enhances its reactivity and potential applications in organic synthesis. The ester functional group, indicated by the carboxylate moiety, suggests that this compound may exhibit characteristics typical of esters, such as volatility and solubility in organic solvents. Additionally, the tert-butyl group (1,1-dimethylethyl) provides steric hindrance, which can influence the compound's reactivity and interactions with other molecules. Overall, this compound may be of interest in medicinal chemistry and materials science due to its unique structural features and potential biological activities.
Formula:C14H13IN2O2
InChI:InChI=1S/C14H13IN2O2/c1-14(2,3)19-13(18)17-8-11(15)10-5-4-9(7-16)6-12(10)17/h4-6,8H,1-3H3
InChI key:InChIKey=QWKKBCZEHPMXIN-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(I)=C1)=CC=C(C#N)C2
Synonyms:
  • 1,1-Dimethylethyl 6-cyano-3-iodo-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 6-cyano-3-iodo-, 1,1-dimethylethyl ester
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