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CAS 380626-46-0

:

1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-, 1,1-dimethylethyl ester

Description:
1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-, 1,1-dimethylethyl ester, identified by CAS number 380626-46-0, is a chemical compound that features an indole ring, which is a bicyclic structure consisting of a benzene fused to a pyrrole. This compound is characterized by the presence of a carboxylic acid functional group and an ester linkage, indicating it can undergo hydrolysis to release the corresponding acid and alcohol. The cyano group (–C≡N) attached to the indole structure contributes to its reactivity and potential applications in organic synthesis. The presence of tert-butyl groups enhances its lipophilicity, which may influence its solubility and biological activity. Compounds of this nature are often studied for their potential pharmacological properties, including anti-inflammatory and anticancer activities. Additionally, the structural features of this compound suggest it may participate in various chemical reactions, making it of interest in medicinal chemistry and drug development.
Formula:C17H20N2O2
InChI:InChI=1/C17H20N2O2/c1-16(2,3)21-15(20)19-10-13(17(4,5)11-18)12-8-6-7-9-14(12)19/h6-10H,1-5H3
SMILES:CC(C)(C)OC(=O)n1cc(c2ccccc12)C(C)(C)C#N
Synonyms:
  • tert-butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate
  • tert-Butyl-3-(2-cyanpropan-2-yl)-1H-indol-1-carboxylat
  • Tert-Butyl 3-(1-Cyano-1-Methyl-Ethyl)Indole-1-Carboxylate
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