Mechanistic Insights into Aerobic C(sp 3 )–H Hydroxylation: A Catalytic Reaction or Not

作者：Chang Ming Li, Zengwei Wang, Qian Peng · 发表于：Organic Letters · 年份：2025 · DOI：10.1021/acs.orglett.5c02510 · 被引用次数：3 · 研究领域：Metal-Catalyzed Oxygenation Mechanisms、Catalytic C–H Functionalization Methods、Oxidative Organic Chemistry Reactions

)-H hydroxylation to α-hydroxy ketone is investigated by multiple quantum chemical computations. An alkali-metal-assisted electron transfer (AET) is proposed to drive the triplet-to-singlet transition for C-O bond formation. The O-O bond cleavage is the key to catalytic conversion, which depends on different alkali metal bases and reductants.