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CAS 869895-64-7

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4,5-Dimethyl 1-(2-oxo-2-phenylethyl)-1H-1,2,3-triazole-4,5-dicarboxylate

Description:
4,5-Dimethyl 1-(2-oxo-2-phenylethyl)-1H-1,2,3-triazole-4,5-dicarboxylate is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features two carboxylate groups, contributing to its potential as a versatile building block in organic synthesis and medicinal chemistry. The presence of the dimethyl substituents enhances its lipophilicity, which may influence its biological activity and solubility in organic solvents. The phenyl group attached to the 2-oxo-2-phenylethyl moiety suggests potential interactions with biological targets, making it of interest in drug development. Additionally, the compound's structure indicates it may exhibit various chemical reactivity patterns, including potential for cycloaddition reactions or further functionalization. Overall, this compound's unique structural features position it as a candidate for research in fields such as pharmaceuticals, agrochemicals, and materials science.
Formula:C14H13N3O5
InChI:InChI=1S/C14H13N3O5/c1-21-13(19)11-12(14(20)22-2)17(16-15-11)8-10(18)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI key:InChIKey=UXIKHYQVKAZWBQ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C(OC)=O)N=NN1CC(=O)C2=CC=CC=C2
Synonyms:
  • 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(2-oxo-2-phenylethyl)-, 4,5-dimethyl ester
  • 4,5-Dimethyl 1-(2-oxo-2-phenylethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
  • 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(2-oxo-2-phenylethyl)-, dimethyl ester
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