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Synthesis
DOI: 10.1055/a-2775-9933
DOI: 10.1055/a-2775-9933
Paper
Regioselective Palladium-Catalyzed Oxidative (Het)Arylation and Oxidative Alkenylation of Imidazo[1,2-b]pyridazines: A Computational Study
Authors
Abstract
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[1,2-b]pyridazines.
Keywords
Oxidative arylation - Oxidative alkenylation - Catalysis - C–H activation - Regioselectivity - Imidazo[1,2-b]pyridazines - DFTPublication History
Received: 16 September 2025
Accepted after revision: 18 December 2025
Accepted Manuscript online:
18 December 2025
Article published online:
31 December 2025
© 2025. Thieme. All rights reserved.
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