以氯胺酮为基础的Umpolung策略使铜催化的1,3-偶极环加成成为可能

IF 13.1 1区 化学 Q1 CHEMISTRY, PHYSICAL
Hui-Ling Qian, , , Hong-Dan Deng, , , Lei Yang, , , Zhen-Hua Wang, , , Yong You, , , Wenjing Zhang*, , , Wei-Cheng Yuan*, , and , Jian-Qiang Zhao*, 
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引用次数: 0

摘要

偶极试剂催化非对称1,3-偶极环加成是一种通过正常[3 + 2]环加成制备吡咯烷环体系的有效方法。然而,通过基于亚胺的umpolung策略实现催化对映选择性区域逆转[3 + 2]环加成仍然是一个艰巨的挑战。在这项工作中,我们提出了一种铜催化的n -2,2,2-三氟乙基苯并[b]噻吩-2,3-二酮衍生的酮胺化合物,用于与苯并[b]噻吩砜进行区域反向对映选择性1,3-偶极环加成。该策略为制备含有苯并噻吩酮、α-三氟甲基吡咯烷和苯并噻唑烷亚基的手性多环螺化合物提供了高度的区域选择性、非对映选择性和对映选择性,具有四个连续的立体中心,效果良好(收率高达98%,所有病例均为20:1 dr和99% ee)。密度泛函理论计算研究揭示了该区域逆环加成反应的机理和立体选择性控制的来源。该方法的实用性和通用性也通过放大实验和产品的不同变换得到了验证。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Copper-Catalyzed Enantioselective 1,3-Dipolar Cycloaddition Enabled by a Ketimine-Based Umpolung Strategy

Copper-Catalyzed Enantioselective 1,3-Dipolar Cycloaddition Enabled by a Ketimine-Based Umpolung Strategy

Copper-Catalyzed Enantioselective 1,3-Dipolar Cycloaddition Enabled by a Ketimine-Based Umpolung Strategy

Catalytic asymmetric 1,3-dipolar cycloaddition of azomethine ylides with various dipolarophiles has emerged as an efficient method for preparing pyrrolidine ring systems through normal [3 + 2] cycloadditions. However, achieving the catalytic enantioselective regio-reversed [3 + 2] cycloadditions via an imine-based umpolung strategy remains a formidable challenge. In this work, we present a copper-catalyzed umpolung of N-2,2,2-trifluoroethyl benzo[b]thiophene-2,3-dione-derived ketimines for the regio-reversed enantioselective 1,3-dipolar cycloaddition with benzo[b]thiophene sulfones. This strategy offers a highly regio-, diastereo-, and enantioselective approach for preparing chiral polycyclic spiro-compounds containing benzothiophenone, α-trifluoromethyl pyrrolidine, and benzosulfolane subunits, featuring four contiguous stereocenters with good results (up to 98% yield, all cases >20:1 dr and >99% ee). Density functional theory computational studies shed light on the reaction mechanism and the origin of the stereoselective control in this regio-reversed cycloaddition. The practicality and versatility of the methodology were also demonstrated by scale-up experiments and different transformations of the product.

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来源期刊
ACS Catalysis
ACS Catalysis CHEMISTRY, PHYSICAL-
CiteScore
20.80
自引率
6.20%
发文量
1253
审稿时长
1.5 months
期刊介绍: ACS Catalysis is an esteemed journal that publishes original research in the fields of heterogeneous catalysis, molecular catalysis, and biocatalysis. It offers broad coverage across diverse areas such as life sciences, organometallics and synthesis, photochemistry and electrochemistry, drug discovery and synthesis, materials science, environmental protection, polymer discovery and synthesis, and energy and fuels. The scope of the journal is to showcase innovative work in various aspects of catalysis. This includes new reactions and novel synthetic approaches utilizing known catalysts, the discovery or modification of new catalysts, elucidation of catalytic mechanisms through cutting-edge investigations, practical enhancements of existing processes, as well as conceptual advances in the field. Contributions to ACS Catalysis can encompass both experimental and theoretical research focused on catalytic molecules, macromolecules, and materials that exhibit catalytic turnover.
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