化学
分子内力
氢原子
接受者
生物催化
组合化学
自由基离子
计算化学
Atom(片上系统)
光化学
联轴节(管道)
氢
对映选择合成
金属
血红素
激进的
密度泛函理论
酶催化
氢键
电子转移
反应机理
立体异构
偶联反应
原子转移自由基聚合
立体化学
硝基
作者
Rajib Mandal,Jaicy Vallapurackal,Aris V. Rubio,Justin Bossenbroek,Ethan Poladian,Rami Halabi,Charles Skidmore,Gus Matone,Kendall N. Houk,Soumitra V. Athavale
摘要
Metal-mediated hydrogen atom transfer (MHAT) enables versatile radical hydrofunctionalization reactions, yet asymmetric variants, especially for olefin-olefin coupling, remain unknown with small-molecule catalysts. Here we report an enzymatic solution using engineered protoglobins, establishing a biocatalytic platform for asymmetric MHAT-triggered intramolecular cyclization. Directed evolution of a protoglobin furnished a variant that catalyzes 5-exo-trig radical cyclizations to generate 3,4-substituted pyrrolidines in high yields and up to 98:2 e.r. The reaction tolerates diverse donor and acceptor substituents, including esters, amides, nitriles, nitro groups, imines, and ketones. Mechanistic experiments and DFT calculations support a radical pathway with an ultrafast enantiodetermining radical cyclization. These results show that engineered heme proteins can support new-to-nature MHAT chemistry and exert stereocontrol over rapid radical steps, providing a powerful system for asymmetric MHAT reactions.
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