有效的Z-选择性半化由阴离子铁催化的化合物
Nikolaus Gorgas, Julian Brünig, Berthold Stöger
1Department of Chemistry , University of Oslo , P.O. Box 1033 , Blindern , N-0315 Oslo , Norway.
Journal of the American Chemical Society
|October 8, 2019
概括
一种新型的铁复合物在温和条件下有效催化,和的半化,产生高度选择性的. 合研究和DFT计算显示了关键的双中间体,决定了反应的选择性.
科学领域:
- 有机金属化学
- 催化剂
- 有机合成
背景情况:
- 铁复合物为贵金属催化剂提供了可持续的替代品.
- 氨基复合物正在成为多功能催化平台.
- 在有机合成中,选择性化不和碳化合物至关重要.
研究的目的:
- 开发一种基于铁的新型催化剂,以实现高效的半化.
- 为了研究化 bis ((-B-H) 氨基复合物的催化活性和选择性.
- 使用计算和实验方法阐明反应机制和立体选择性.
主要方法:
- 使用内部,1,3-二和1,3-的催化半化反应.
- 加入的研究.
- 密度函数理论 (DFT) 的计算.
- 铁复合物的合成和表征.
主要成果:
- 在温和条件下 (温度25°C,4-5 bar H2O/D2O) 能有效催化半化.
- 在广泛的基质中实现了高Z选择性.
- 对1,3-diynes和1,3-enynes进行了选择性合.
- DFT计算确定了关键双中间体[Fe(PNPNMe-Pr)
结论:
- 新型铁复合物为半化提供了高效和选择性的催化系统.
- 催化活性归因于具有双部分的中间体.
- 这项研究为铁催化化反应提供了宝贵的机理见解.
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