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CAS 1227955-21-6

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1H-Indole-2-carboxylic acid, 3-bromo-5-(trifluoromethoxy)-, ethyl ester

Description:
1H-Indole-2-carboxylic acid, 3-bromo-5-(trifluoromethoxy)-, ethyl ester 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 compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The presence of a bromine atom at the 3-position and a trifluoromethoxy group at the 5-position introduces significant electronegative characteristics, influencing the compound's reactivity and solubility. The ethyl ester moiety enhances its lipophilicity, making it more soluble in organic solvents. This compound may exhibit biological activity, potentially serving as a scaffold for drug development, particularly in medicinal chemistry. Its unique combination of functional groups suggests potential applications in various fields, including pharmaceuticals and agrochemicals. As with many indole derivatives, it may also participate in various chemical reactions, such as nucleophilic substitutions or coupling reactions, making it a versatile intermediate in organic synthesis.
Formula:C12H9BrF3NO3
InChI:InChI=1S/C12H9BrF3NO3/c1-2-19-11(18)10-9(13)7-5-6(20-12(14,15)16)3-4-8(7)17-10/h3-5,17H,2H2,1H3
InChI key:InChIKey=APESJMAQOSVTBB-UHFFFAOYSA-N
SMILES:BrC=1C=2C(NC1C(OCC)=O)=CC=C(OC(F)(F)F)C2
Synonyms:
  • 1H-Indole-2-carboxylic acid, 3-bromo-5-(trifluoromethoxy)-, ethyl ester
  • Ethyl 3-bromo-5-(trifluoromethoxy)-1H-indole-2-carboxylate
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