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CAS 1353101-38-8

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4-Pyrimidinecarboxylic acid, 6-(trifluoromethyl)-, methyl ester

Description:
4-Pyrimidinecarboxylic acid, 6-(trifluoromethyl)-, methyl ester is an organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing nitrogen atoms. The presence of a carboxylic acid group and a methyl ester functional group indicates that it can participate in various chemical reactions, such as esterification and hydrolysis. The trifluoromethyl group attached to the pyrimidine ring significantly influences the compound's electronic properties, enhancing its lipophilicity and potentially affecting its biological activity. This compound is typically used in pharmaceutical research and development due to its potential as a building block for biologically active molecules. Its solubility in organic solvents and stability under standard laboratory conditions make it suitable for various synthetic applications. Additionally, the trifluoromethyl group can impart unique characteristics, such as increased metabolic stability and altered pharmacokinetics, making it of interest in medicinal chemistry. Overall, this compound exemplifies the diverse functionalities that can be achieved through strategic molecular design in heterocyclic chemistry.
Formula:C7H5F3N2O2
InChI:InChI=1S/C7H5F3N2O2/c1-14-6(13)4-2-5(7(8,9)10)12-3-11-4/h2-3H,1H3
InChI key:InChIKey=CACYLJKHDMPBPG-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C(C(F)(F)F)N=CN1
Synonyms:
  • 4-Pyrimidinecarboxylic acid, 6-(trifluoromethyl)-, methyl ester
  • Methyl 6-(trifluoromethyl)pyrimidine-4-carboxylate
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