钴催化级联C-H活化和炔的碳酰胺化合成3,3-恶螺环。

IF 6.2 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Bholanath Garai, Molla Rahamat Ali, J Richard Premkumar, Basker Sundararaju
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引用次数: 0

摘要

螺旋环基序由于其独特的三维结构和良好的药代动力学性质,越来越被认为是药物发现中的特权支架。尽管羰基和杂环螺环的合成取得了重大进展,但构建羧基螺环框架的有效方法仍然不发达。我们提出了一步,钴(III)催化方案合成氧-螺环化合物使用苯氧乙酰胺和炔。该反应具有很强的通用性,可容纳芳香环上的一系列官能团,并以优异的收率提供螺环产物。在醌环或内炔上的取代阻止了进一步的环化,导致只产生1,2-碳酰胺化产物。碳酰胺化协议扩展到未活化的烯烃,随后的酸介导的合成后修饰允许生成复杂的三维结构。动力学研究和DFT计算确定迁移插入是速率决定步骤,醋酸辅助氧化加成N-O键和原脱金属。这项工作为合成氧-螺环化合物提供了一个强大而有效的策略,展示了钴(III)在复杂分子合成中的催化潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Synthesis of 3,3-oxaspirocycles via cobalt-catalyzed cascade C-H activation and carboamidation of alkynes.

Spirocyclic motifs are increasingly recognized as privileged scaffolds in drug discovery due to their unique three-dimensional architecture and favorable pharmacokinetic properties. Despite significant progress in the synthesis of carbo- and hetero-spirocycles, efficient methods for constructing oxa-spirocyclic frameworks remain underdeveloped. We present a one-step, cobalt(III)-catalyzed protocol for the synthesis of oxa-spirocyclic compounds using phenoxy acetamide and alkynes. The reaction is highly versatile, accommodating a range of functional groups on the aromatic ring and providing spirocyclic products in good to excellent yields. Substitutions at the quinone ring or internal alkyne prevent further cyclization, leading exclusively to the 1,2-carboamidated product. The carboamidation protocol is extended to unactivated olefins, and the subsequent acid-mediated post-synthetic modifications allow for the generation of complex three-dimensional structures. Kinetic studies and DFT calculations identify migratory insertion as the rate-determining step, with acetic acid assisting in the oxidative addition of the N-O bond and protodemetalation. This work provides a robust and efficient strategy for synthesizing oxa-spirocyclic compounds, showcasing the potential of cobalt(III) catalysis in complex molecular synthesis.

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来源期刊
Communications Chemistry
Communications Chemistry Chemistry-General Chemistry
CiteScore
7.70
自引率
1.70%
发文量
146
审稿时长
13 weeks
期刊介绍: Communications Chemistry is an open access journal from Nature Research publishing high-quality research, reviews and commentary in all areas of the chemical sciences. Research papers published by the journal represent significant advances bringing new chemical insight to a specialized area of research. We also aim to provide a community forum for issues of importance to all chemists, regardless of sub-discipline.
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