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Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation

机译:n-(N-丙基)丁二胺的自缩合:NMR和质谱分析及理论计算研究

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摘要

The stability of N-propylbutanimine (1) was investigated under different experimental conditions. The acid-catalyzed self-condensation that produced the E-enimine (4) and Z-inimine (5) was studied by experimental analyses and theoretical calculations. Since the calculations for the energy of 5 indicated that it had a lower energy than 4, yet 4 was the principal product, the self-condensation of 1 must be kinetically controlled.
机译:在不同的实验条件下研究了N-丙基丁胺(1)的稳定性。通过实验分析和理论计算研究了产生E-亚胺(4)和Z-亚胺(5)的酸催化自缩合反应。由于对能量5的计算表明它的能量低于4,但4是主要产物,因此必须动态控制1的自缩合。

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