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CAS 886362-67-0

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Ethyl 4,5-difluoro-2-methyl-1H-indole-3-carboxylate

Description:
Ethyl 4,5-difluoro-2-methyl-1H-indole-3-carboxylate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This particular compound features two fluorine atoms at the 4 and 5 positions of the indole ring, contributing to its unique reactivity and potential applications in medicinal chemistry. The presence of the ethyl ester group at the carboxylate position enhances its solubility in organic solvents and may influence its biological activity. The methyl group at the 2 position adds steric hindrance, which can affect the compound's interaction with biological targets. Overall, this compound is of interest in the field of drug discovery and development, particularly for its potential as a lead compound in the synthesis of novel pharmaceuticals. Its specific properties, such as melting point, boiling point, and spectral data, would require experimental determination or literature reference for precise characterization.
Formula:C12H11F2NO2
InChI:InChI=1S/C12H11F2NO2/c1-3-17-12(16)9-6(2)15-8-5-4-7(13)11(14)10(8)9/h4-5,15H,3H2,1-2H3
InChI key:InChIKey=JWJWOIIIIAAFQN-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=2C(NC1C)=CC=C(F)C2F
Synonyms:
  • 1H-Indole-3-carboxylic acid, 4,5-difluoro-2-methyl-, ethyl ester
  • Ethyl 4,5-difluoro-2-methyl-1H-indole-3-carboxylate
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