Computational study demonstrates C3-H functionalization in imidazo[1,2-b]pyridazines, indicating the significance of regioselectivity.
This study reports the first example of regioselective palladium-catalyzed oxidative (het)arylation and oxidative alkenylation of imidazo[1,2-b]pyridazines using Pd(OAc)₂ as catalyst and Ag₂CO₃ as base. The method enables direct C3-H functionalization with alkenes, arenes, and (hetero)arenes, yielding diverse products in good to excellent yields. DFT calculations supported a concerted metalation-deprotonation (CMD) mechanism, highlighting the role of electronic and steric factors in regioselectivity. This approach provides a step-and atom-economical route to polysubstituted imidazo[1,2b]pyridazines.
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Chahdi et al. (2025) studied this question.
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