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Half-Sandwich Ruthenium Phenolate–Oxazoline Complexes: Experimental and Theoretical Studies in Catalytic Transfer Hydrogenation of Nitroarene
Organometallics ( IF 2.8 ) Pub Date : 2017-12-19 00:00:00 , DOI: 10.1021/acs.organomet.7b00721
Wei-Guo Jia 1 , Shuo Ling 1 , Hai-Ning Zhang 1 , En-Hong Sheng 1 , Richmond Lee 2
Affiliation  

In this work, five ruthenium complexes [Ru(p-cymene)LCl] containing phenolate-oxazoline ligands [L = 2-(4,5-dihydrooxazol-2-yl)phenol (1); L = 2-(4-methyl-4,5-dihydrooxazol-2-yl)phenol (2); L = 2-(4-ethyl-4,5-dihydrooxazol-2-yl)phenol (3); L = 2-(4-phenyl-4,5-dihydrooxazol-2-yl)phenol (4); and 2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)phenol (5)] were synthesized and characterized. The solid-state structures of all ruthenium complexes were determined by single-crystal X-ray diffraction. The catalytic activities of these complexes in the transfer hydrogenation reaction of nitroarene to aniline were investigated. Aniline and their derivatives were obtained in good to excellent yields with isopropanol as the hydride source. The present protocol provides an environmentally benign synthetic method for the reduction of nitroarenes to anilines without employing harsh reaction conditions. Theoretical studies employing density functional theory were carried with the aim to propose a feasible reaction mechanism and to draw insights into the reactivity of the half-sandwich ruthenium catalyst.

中文翻译:

半三明治酚盐钌-恶唑啉配合物:硝基芳烃催化转移加氢的实验和理论研究

在这项工作中,五个含有酚盐-恶唑啉配体[L = 2-(4,5-二氢恶唑-2-基)苯酚(1)的钌配合物[Ru(p- Cymene)LCl] ;L = 2-(4-甲基-4,5-二氢恶唑-2-基)苯酚(2);L = 2-(4-乙基-4,5-二氢恶唑-2-基)苯酚(3);L = 2-(4-苯基-4,5-二氢恶唑-2-基)苯酚(4);和2-(4,4-二甲基-4,5-二氢恶唑-2-基)苯酚(5)]的合成和表征。所有钌配合物的固态结构均通过单晶X射线衍射测定。研究了这些配合物在硝基芳烃向苯胺的转移加氢反应中的催化活性。用异丙醇作为氢化物源,可以很好地获得苯胺及其衍生物。本方案提供了一种环境友好的合成方法,用于在不采用苛刻的反应条件的情况下将硝基芳烃还原为苯胺。进行了使用密度泛函理论的理论研究,目的是提出一种可行的反应机理,并深入了解半三明治钌催化剂的反应性。
更新日期:2017-12-19
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