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CAS 914349-11-4

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1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate, identified by its CAS number 914349-11-4, is a chemical compound that features an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound contains a cyano group (-CN) and a hydroxymethyl group (-CH2OH), contributing to its reactivity and potential applications in organic synthesis. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which can influence its solubility and biological activity. The carboxylate functional group indicates that it can participate in various chemical reactions, such as esterification or amidation. This compound may be of interest in medicinal chemistry and drug development due to its structural features, which could lead to interactions with biological targets. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C15H16N2O3
InChI:InChI=1/C15H16N2O3/c1-15(2,3)20-14(19)17-8-11(9-18)12-6-10(7-16)4-5-13(12)17/h4-6,8,18H,9H2,1-3H3
InChI key:InChIKey=CWAWIDMLDLCCNP-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(CO)=C1)=CC(C#N)=CC2
Synonyms:
  • 1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 5-cyano-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • tert-Butyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate
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