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CAS 776-41-0

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1H-Indole-3-carboxylic acid, ethyl ester

Description:
1H-Indole-3-carboxylic acid, ethyl ester, also known by its CAS number 776-41-0, is an organic compound characterized by its indole structure, which consists of a fused benzene and pyrrole ring. This compound features a carboxylic acid functional group that is esterified with an ethyl group, contributing to its solubility in organic solvents. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. The compound is known for its role in various chemical reactions, particularly in the synthesis of pharmaceuticals and agrochemicals, due to the biological activity associated with indole derivatives. It exhibits moderate stability under standard conditions but may undergo hydrolysis in the presence of strong acids or bases. Additionally, 1H-Indole-3-carboxylic acid, ethyl ester is of interest in research for its potential applications in medicinal chemistry, particularly in the development of compounds with anti-inflammatory and anticancer properties. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C11H11NO2
InChI:InChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3
InChI key:InChIKey=XOUHVMVYFOXTMN-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=2C(NC1)=CC=CC2
Synonyms:
  • 1H-Indole-3-carboxylic acid, ethyl ester
  • 3-(Ethoxycarbonyl)indole
  • Ethyl Indole-3-Carboxylate
  • Indole-3-carboxylic acid, ethyl ester
  • NSC 63796
  • ethyl 1H-indole-3-carboxylate
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