Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies†,Catalysis Science & Technology

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Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies†
Catalysis Science & Technology ( IF 4.4 ) Pub Date : 2018-10-16 00:00:00 , DOI: 10.1039/c8cy00515j
Benjamin Zelenay _{1,

2,

3,

4,

5} , Maria Besora _{5,

6,

7,

8} , Zaira Monasterio _{1,

2,

3,

4} , David Ventura-Espinosa _{1,

2,

3,

4} , Andrew J. P. White _{1,

2,

3,

4} , Feliu Maseras _{5,

6,

7,

8,

9} , Silvia Díez-González _{1,

2,

3,

4}

Affiliation

The reduction of aryl azides in the absence of an obvious reducing agent is reported. Careful catalyst design led to the production of anilines in the presence of water and air. The reaction medium (toluene/water) is crucial for the success of the reaction, as DFT calculations support the formation of benzyl alcohol as the oxidation product. A singular catalytic cycle is presented for this transformation based on four key steps: nitrene formation through nitrogen extrusion, formal oxidative addition of water, C(sp³)–H activation of toluene and reductive elimination.

中文翻译：

在看似氧化的条件下铜介导的叠氮化物还原：催化和计算研究†

据报道，在没有明显的还原剂的情况下，芳基叠氮化物的还原。精心设计的催化剂导致在水和空气存在下生产苯胺。反应介质（甲苯/水）对于反应的成功至关重要，因为DFT计算支持形成苄醇作为氧化产物。基于四个关键步骤，提出了用于该转化的奇异催化循环：通过氮气挤压形成亚硝基，水正式氧化加成，甲苯的C（sp ³）-H活化和还原消除。

更新日期：2018-10-16

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