<div><p>The complexing capability of β-diketone-3-substituted phthalides (isobenzofuranone) or isoindolinones toward Cu(II), Fe(III), Al(III), and Zn(II) salts has been highlighted by UV–vis spectroscopic studies. Conversely, heterocyclic analogs substituted with dimethyl malonate showed no complexing ability. Further insights have been given by the determination of equilibrium constants and distribution diagram, while the synthesis, isolation, and characterization of Cu(II)-β-diketonate-isoindolinone complex has been achieved via a convenient modification of standard procedures. Moreover, <i>in silico</i> evaluation of bioavailability of the ligands is also discussed for potential pharmacological applications.</p></div
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