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CAS 55942-41-1

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Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate

Description:
Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate is a chemical compound characterized by its imidazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. The presence of a trifluoromethyl group (-CF3) at the 5-position of the imidazole ring significantly influences its chemical properties, enhancing its lipophilicity and potentially its biological activity. The ethyl ester functional group at the 4-position contributes to its reactivity, making it a versatile intermediate in organic synthesis. This compound is typically a white to off-white solid and is soluble in organic solvents. Its unique structure allows it to participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the trifluoromethyl group can impart unique electronic properties, making it of interest in medicinal chemistry and agrochemical applications. Safety data should be consulted for handling, as compounds with trifluoromethyl groups can exhibit specific toxicological profiles.
Formula:C7H7F3N2O2
InChI:InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-5(7(8,9)10)12-3-11-4/h3H,2H2,1H3,(H,11,12)
InChI key:InChIKey=GKUCPVKNHSQTEO-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C(F)(F)F)N=CN1
Synonyms:
  • Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
  • Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate
  • 5-Trifluoromethyl-3H-imidazole-4-carboxylic acid ethyl ester
  • 1H-Imidazole-4-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester
  • 4-Trifluoromethyl-5-carbethoxyimidazole
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