The catalytic carbonylation of alkynes is a powerful route to heteroaromatic scaffolds, yet achieving regioselectivity remains challenging. Herein, we report a divergent carbonylative cyclization of 2-alkynylphenol derivatives that affords either coumarins (6-endo-dig) or 2-coumaranones (5-exo-dig) by tuning the palladium-based catalytic system. Pd(OAc)2 in combination with TFA favored coumarins formation with high yield and selectivity (>15:1), whereas electron-deficient species such as Pd(MeCN)4(BF4)2 promoted 2-coumaranones with up to 84% yield and >25:1 selectivity. While many approaches exploit ligand design to steer selectivity, these results highlight counterion effects as a powerful tool to control regioselectivity in palladium-catalyzed carbonylative cyclization, expanding the utility of alkyne carbonylation for the synthesis of biologically relevant heterocycles.

Voronov, A., Sacchelli, F., Olivieri, D., Constantin, A.M., Mazzeo, P.P., Mancuso, R., et al. (2026). Counterion Effects Enable Divergent Pd‐Catalyzed Carbonylative Cyclization of Amide‐Tethered o‐Alkynylphenols. ADVANCED SYNTHESIS & CATALYSIS, 368(11), 1-9 [10.1002/adsc.70517].

Counterion Effects Enable Divergent Pd‐Catalyzed Carbonylative Cyclization of Amide‐Tethered o‐Alkynylphenols

Olivieri, Diego;Mazzeo, Paolo Pio;Carfagna, Carla;Tarroni, Riccardo;
2026

Abstract

The catalytic carbonylation of alkynes is a powerful route to heteroaromatic scaffolds, yet achieving regioselectivity remains challenging. Herein, we report a divergent carbonylative cyclization of 2-alkynylphenol derivatives that affords either coumarins (6-endo-dig) or 2-coumaranones (5-exo-dig) by tuning the palladium-based catalytic system. Pd(OAc)2 in combination with TFA favored coumarins formation with high yield and selectivity (>15:1), whereas electron-deficient species such as Pd(MeCN)4(BF4)2 promoted 2-coumaranones with up to 84% yield and >25:1 selectivity. While many approaches exploit ligand design to steer selectivity, these results highlight counterion effects as a powerful tool to control regioselectivity in palladium-catalyzed carbonylative cyclization, expanding the utility of alkyne carbonylation for the synthesis of biologically relevant heterocycles.
2026
Voronov, A., Sacchelli, F., Olivieri, D., Constantin, A.M., Mazzeo, P.P., Mancuso, R., et al. (2026). Counterion Effects Enable Divergent Pd‐Catalyzed Carbonylative Cyclization of Amide‐Tethered o‐Alkynylphenols. ADVANCED SYNTHESIS & CATALYSIS, 368(11), 1-9 [10.1002/adsc.70517].
Voronov, Aleksandr; Sacchelli, Filippo; Olivieri, Diego; Constantin, Ana Maria; Mazzeo, Paolo Pio; Mancuso, Raffaella; Gabriele, Bartolo; Carfagna, Ca...espandi
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/1090930
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