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CAS 1355171-98-0

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Ethyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate

Description:
Ethyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate is a chemical compound characterized by its unique structure, which includes a benzo[b]thiophene core substituted with a trifluoromethyl group and an ethyl ester functional group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions, including electrophilic substitutions. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. Additionally, the ethyl ester moiety can participate in esterification and hydrolysis reactions, which are relevant in synthetic organic chemistry. The compound may also display interesting optical properties due to its conjugated system. Its applications could extend to pharmaceuticals, agrochemicals, or materials science, depending on the specific interactions and reactivity it exhibits in various environments. As with many fluorinated compounds, it may also show unique solubility and volatility characteristics.
Formula:C12H9F3O2S
InChI:InChI=1S/C12H9F3O2S/c1-2-17-11(16)10-6-7-5-8(12(13,14)15)3-4-9(7)18-10/h3-6H,2H2,1H3
InChI key:InChIKey=UUJUQGFWUYSWEO-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC=2C(S1)=CC=C(C(F)(F)F)C2
Synonyms:
  • Benzo[b]thiophene-2-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester
  • Ethyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate
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