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Styrene-Based Axial Chiral Catalyst-Catalyzed Asymmetric Synthesis of Spirobarbiturates through Chiral Proton Shuttle

Xiao-Kun Shi, Shen-Yuan Zhang, Shen-Yuan Zhang, Tian-Dong Guan, Fu-Xin Tan, Xinyu Chen, Yuting Li, Peng-Fei Lian, Tong‐Mei Ding, Shu-Yu Zhang, Shu-Yu Zhang

2026ACS Catalysis6 citationsDOI

Abstract

Chiral spirobarbiturates have become recognized as crucial structural motifs in biologically active compounds owing to their rigid frameworks. However, current approaches for constructing chiral spirobarbiturates that utilize barbiturates as Michael donors remain underdeveloped. Herein, we present a synthetic strategy for the construction of chiral spirobarbiturates through a chiral proton shuttle approach designed to suppress background and side reactions. Barbituric isothiocyanates are employed as effective Michael donors, enabling asymmetric cyclization with enynamides to proceed in good yields and with high enantioselectivity under mild reaction conditions. Mechanistic investigations, encompassing control experiments, kinetic analyses, and density functional theory (DFT) calculations, are conducted to clarify the reaction pathway and to elucidate the roles of the chiral proton shuttle and the styrene-based axial chiral catalyst in achieving asymmetric induction.

Topics & Concepts

Enantioselective synthesisCatalysisProtonChemistryChiral auxiliaryCombinatorial chemistryDensity functional theoryComputational chemistryChirality (physics)StereochemistryStereoisomerismOrganocatalysisChiral ligandAxial chiralityChiral perturbation theoryKinetic controlAxial and Atropisomeric Chirality SynthesisAsymmetric Synthesis and CatalysisSynthesis and Properties of Aromatic Compounds