Benzo[4,5]thiazolo[3, 2-]pyrimidine-3-carboxylate derivatives () containing electron-donor and electron-acceptor groups with remarkable photophysical and electrochemical properties were synthesized. The changes in absorption properties of compound in the presence of various cations were evaluated. Compound can act as a colorimetric sensor for highly sensitive and selective detection of Fe and Crin acetonitrile solvent. Using measurements of absorbance intensity, the binding constants for the + Fe complex and + Cr complex were found to be 1.958 × 10 and 1.5442 × 10 M with lower detection limits of 52 and 110 nM, respectively. H NMR titrations, Fourier transform infrared (FTIR) studies, electrospray ionization (ESI)-mass spectra, and Job's plots were used to verify the mechanism of the specific reaction and colorimetric sensing of + Fe and + Cr. The application of compound for the determination of Fe in spiked samples of iron tablets in different environmental water samples showed a satisfactory result with good recovery.
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