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CAS 393-81-7

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3,5-Diethyl 2-methyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate

Description:
3,5-Diethyl 2-methyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate, with CAS number 393-81-7, is a chemical compound belonging to the class of pyridine derivatives. This substance features a pyridine ring substituted with two ethyl groups at the 3 and 5 positions, a methyl group at the 2 position, and a trifluoromethyl group at the 6 position, along with two carboxylate ester functionalities. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and biological activity. The diethyl and methyl substituents contribute to the steric bulk and can affect the compound's solubility and interaction with biological systems. This compound may be of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential applications in drug development or as a pesticide. As with many organic compounds, safety data should be consulted to understand its handling, toxicity, and environmental impact.
Formula:C13H14F3NO4
InChI:InChI=1S/C13H14F3NO4/c1-4-20-11(18)8-6-9(12(19)21-5-2)10(13(14,15)16)17-7(8)3/h6H,4-5H2,1-3H3
InChI key:InChIKey=MDLBOTPMVPJSPL-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C(F)(F)F)N=C(C)C(C(OCC)=O)=C1
Synonyms:
  • 3,5-Pyridinedicarboxylic acid, 2-methyl-6-(trifluoromethyl)-, 3,5-diethyl ester
  • 3,5-Diethyl 2-methyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate
  • 3,5-Pyridinedicarboxylic acid, 2-methyl-6-(trifluoromethyl)-, diethyl ester
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