A novel μ3-CO3 bridged linear polymeric Cu-complex ([Cu3(DMAP)8(μ3-CO3)2]I2) n ·xH2O: synthesis, characterization and catalytic applications in the synthesis of phenoxypyrimidines and arylthiopyrimidines via C-O and C-S cross-coupling reactions.

This manuscript reports on the synthesis and characterization of a new polymeric copper complex ([Cu3(DMAP)8(μ3-CO3)2]I2) n ·xH2O and its successful application in C-O and C-S cross coupling reactions for the synthesis of biologically important phenoxypyrimidine and arylthiopyrimidine scaffolds. In an attempt to synthesize [Cu(DMAP)4I]I by adopting a procedure reported by Roy et al. with slight modification, the authors discovered a new polymeric Cu-complex that contains μ3-CO3 bridges. The polymeric linear structure of the complex was established using single crystal X-ray analysis. FT-IR, UV-vis and DSC studies were also performed on the polymeric complex. This novel polymeric Cu-complex was found to efficiently catalyse C-O/C-S cross coupling reactions between chloropyrimidines and phenols/thiophenols in an aqueous medium within a short reaction time, delivering their corresponding phenoxypyrimidines and arylthiopyrimidines. Using this protocol, 22 phenoxypyrimidines and 6 arylthiopyrimidines were successfully synthesized. The synthesized novel compounds were well characterized using 1H and 13C NMR spectroscopy and HRMS analysis and were screened for their drug-likeness properties using the SwissADME webtool.