Shaping of a Reactive Manganese Catalyst Enables Access to Polyfunctionalized Cyclohexanes via Enantioselective C(sp(3))─H Bond Oxidation of 1,3-meso Diethers

通过对活性锰催化剂的调控,实现了1,3-内消旋二醚对映选择性C(sp(3))─H键氧化,从而获得多功能化环己烷。

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Abstract

Chiral polyoxygenated cyclohexanes are valuable constituents of biologically relevant products. Herein, we report a protocol for the direct access to these scaffolds via site- and enantioselective non-directed oxidation of cyclohexyl-3,5-meso diethers using aqueous H₂O₂. Structural shaping of a highly reactive chiral Mn-oxo species, achieved through the combination of a sterically encumbered ligand and a bulky carboxylic acid, promotes a precise fit of the substrate within the catalyst pocket, which translates into exceptional enantioselectivity (up to >99% ee). Computational studies reveal that C─H oxidation proceeds via an initial hydrogen atom transfer, followed by electron transfer, leading to the formation of a chiral cationic intermediate. The resulting desymmetrized 3-methoxycyclohexanone products serve as valuable intermediates for the synthesis of bioactive cores, as they can undergo orthogonal chemical modifications to enable further structural diversification.

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