Asymmetric Catalytic 1,2‐Azaarene Migration to α‐Azaaryl‐α‐Hydroxy Esters Enabled by a Tailored Ligand

X Xing‐Zi Li (Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China) Y Yue‐Hai Xu (Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China) F Fang‐Zhou Li (Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China) Y Yu‐Ping He (Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China) H Hua Wu

Abstract

AbstractDespite their prevalence in bioactive molecules, the stereoselective construction of α‐azaaryl‐α‐hydroxycarboxylates remains a formidable challenge. Notably, although the benzilic ester rearrangement (BER) is an efficient approach to α‐hydroxycarboxylates, asymmetric catalytic BER remains poorly developed, largely due to poor stereorecognition of the vicinal diketone substituents by common chiral catalysts. In response to these issues, here we report a copper‐catalyzed asymmetric BER of azaarene‐derived 1,2‐diketones with simple alcohols to give diverse α‐azaaryl‐α‐hydroxy esters. It is proposed that the azaarene nitrogen and the adjacent carbonyl group chelate copper to form a five‐membered metallacycle, initiating the subsequent stereoselective 1,2‐nucleophilic addition step. Meanwhile, enantiocontrol over vicinal diketones was achieved by a tailored bisoxazoline (BOX) ligand with two rigid, long, and terminally bulky sidearms. This study overcomes the incompatibility between azaarenes and BOX ligands, and also unlocks asymmetric catalytic 1,2‐azaarene migrations.

Article Details

Volume / Issue Vol. 64, Issue 40
Published September 26, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (5)

X

Xing‐Zi Li

Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China

Y

Yue‐Hai Xu

Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China

F

Fang‐Zhou Li

Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China

Y

Yu‐Ping He

Shanghai Frontiers Science Center for Drug Target Identification and Delivery, National Key Laboratory of Innovative Immunotherapy and Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs School of Pharmaceutical Sciences Shanghai Jiao Tong University Shanghai 200240 China

H

Hua Wu