Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated Amines from Nitriles Using Methanol: Experimental and Computational Studies,ACS Catalysis

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Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated Amines from Nitriles Using Methanol: Experimental and Computational Studies
ACS Catalysis ( IF 11.3 ) Pub Date : 2018-02-26 00:00:00 , DOI: 10.1021/acscatal.8b00021
Bhaskar Paul ₁ , Sujan Shee ₁ , Dibyajyoti Panja ₁ , Kaushik Chakrabarti ₁ , Sabuj Kundu ₁

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Direct and selective synthesis of N,N-dimethylated amines from nitriles using methanol as C1 building blocks is reported using an air- and moisture-stable ruthenium complex. Following this process, various aromatic as well as aliphatic nitriles were converted to the corresponding N-methylated amines. Interestingly, tandem C-methylation as well as N-methylation was achieved by introducing multiple methyl groups. The practical aspect of this process was revealed by preparative-scale reactions with different nitriles and the synthesis of anti-allergic drug “avil”. Several kinetic experiments and detailed DFT calculations were carried out to understand the mechanism of this process.

中文翻译：

用甲醇直接从腈中合成N，N-二甲基化和β-甲基N，N-二甲基化胺：实验和计算研究

据报道，使用空气和水分稳定的钌络合物，可以使用甲醇作为C1结构单元，从腈直接和选择性地合成N，N-二甲基胺。在该过程之后，将各种芳族腈和脂族腈转化为相应的N-甲基化胺。有趣的是，串联C-甲基化和N-甲基化是通过引入多个甲基实现的。通过与不同腈的制备规模反应以及抗过敏药“铁砧”的合成，揭示了该方法的实用方面。进行了几次动力学实验和详细的DFT计算，以了解该过程的机理。

更新日期：2018-02-26

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