CAS 1111104-18-7

Methyl 5-(1,2-dihydro-2-oxo-5-pyrimidinyl)-2-fluorobenzoate

Description:

Methyl 5-(1,2-dihydro-2-oxo-5-pyrimidinyl)-2-fluorobenzoate is a chemical compound characterized by its unique structure, which includes a fluorinated benzoate moiety and a pyrimidine derivative. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups. The fluorine atom can influence the compound's electronic properties, potentially enhancing its lipophilicity and altering its biological activity. The presence of the pyrimidine ring suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as pyrimidines are often found in biologically active molecules. Additionally, the ester functional group may impart characteristics such as susceptibility to hydrolysis under certain conditions. Overall, this compound's structural features suggest it may have interesting chemical reactivity and potential applications in various fields, including drug development and materials science.

Formula: C₁₂H₉FN₂O₃

InChI: InChI=1S/C12H9FN2O3/c1-18-11(16)9-4-7(2-3-10(9)13)8-5-14-12(17)15-6-8/h2-6H,1H3,(H,14,15,17)

InChI key: InChIKey=YUMHSZOMOOJKIO-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(C=CC1F)C2=CNC(=O)N=C2

Synonyms:

• Methyl 5-(1,2-dihydro-2-oxo-5-pyrimidinyl)-2-fluorobenzoate
• Benzoic acid, 5-(1,2-dihydro-2-oxo-5-pyrimidinyl)-2-fluoro-, methyl ester