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CAS 1245649-69-7

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Ethyl 1-[3-(1-methylethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate

Description:
Ethyl 1-[3-(1-methylethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a phenyl group substituted with an isopropyl group enhances its lipophilicity, potentially influencing its biological activity and interaction with various targets. The triazole moiety is known for its role in pharmaceuticals, particularly as a scaffold in antifungal and anti-inflammatory agents. The compound's carboxylate group may participate in hydrogen bonding and ionic interactions, which can be crucial for its biological efficacy. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C14H17N3O2
InChI:InChI=1S/C14H17N3O2/c1-4-19-14(18)13-15-9-17(16-13)12-7-5-6-11(8-12)10(2)3/h5-10H,4H2,1-3H3
InChI key:InChIKey=RQGLCIJXGJKWGA-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=NN(C=N1)C2=CC(C(C)C)=CC=C2
Synonyms:
  • Ethyl 1-[3-(1-methylethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate
  • 1H-1,2,4-Triazole-3-carboxylic acid, 1-[3-(1-methylethyl)phenyl]-, ethyl ester
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