哌嗪
反应性(心理学)
化学
背景(考古学)
表征(材料科学)
试剂
分子
质谱法
胺气处理
组合化学
量子化学
有机化学
量子化学
计算化学
纳米技术
材料科学
超分子化学
医学
古生物学
替代医学
病理
色谱法
生物
作者
Stephany González-González,Marco Franco‐Pérez,Christiaan Jardínez,Jorge Jairo Cariño-Moreno,María Guadalupe Ramírez-Sotelo,Angel Zamudio‐Medina
标识
DOI:10.1080/10426507.2023.2193404
摘要
We report a fast, safe, and efficient procedure for the synthesis of phosphorylated derivatives of piperazines through a multicomponent reaction (MCR) strategy. Our key reagents were the piperazines 1-(2-methoxyphenyl) piperazine and 3-(4- (2-methoxyphenyl) piperazin-1-yl) propan-1-amine which reacted with five different phosphorous chlorides. A total of ten new derivatives were obtained, all confirmed by NMR spectroscopy (1H, 13C, and 31P) and mass spectrometry. Then, the reactivity profile of our new compounds was characterized through the new theoretical framework of the Local Electronic Temperature of Atoms in Molecules (LT-AIMs), from which we identified the most reactive sites of each of our derivatives. Furthermore, some of the quantities defined within this context were used to reproduce trends observed in our NMR records. A brief discussion about the advantages of performing a combined experimental and theoretical chemical characterization of recently synthesized compounds is also presented, particularly for those compounds with potential therapeutic features.
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