ACS Catalysis · 2024 · 11 citations · 64 references
PharmacyChemistryMedicinal ChemistryComputational ChemistryDrug DiscoverySynthetic Medicinal ChemistryHeterocycle SynthesisHeterocyclic ChemistryMacrocycle SynthesisIterative DesignMacrocycle DiscoveryMacrocyclic CompoundsMacrocyclic Library ConstructionMacrocyclic Library SynthesisReaction Pathway Analysis
Macrocyclic dimeric lactones have pharmacological activities that make them attractive synthetic targets, but typical synthetic strategies employ an iterative approach to construct the macrocycle. Herein, we report a visible-light-mediated approach that enables facile access to 1- and 2-azetine-based dimeric lactones of up to 30-membered ring macrocycles. These products form via four consecutive triplet energy transfers for 1-azetine dimeric products and two consecutive triplet energy transfers for 2-azetine dimeric products. Computational investigations provide insights into the mechanism of this reaction, consistent with an unexpected initial intermolecular [2 + 2]-cycloaddition being preferred under nonstandard Curtin–Hammett conditions over the corresponding intramolecular reaction, which ultimately enables an efficient reaction pathway for macrocyclic dimerization.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13