Applied Chemistry Department, Faculty of Technology & Engineering, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat-390001, India.
Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat-390002, India.
Phys Chem Chem Phys. 2023 May 24;25(20):14374-14386. doi: 10.1039/d3cp00857f.
A Cu(II)-salen complex encapsulated in MWW-framework as an efficient chiral organocatalyst was developed for the synthesis of 3,4-dihydropyrimidin-2-(1)-one (DHPMs) derivatives an asymmetric pathway. In order to confirm its structural properties, single-crystal X-ray diffraction, powder XRD, BET, XPS, FE-SEM, EDX, UV-Vis, and FTIR spectra were used. Using computer-assisted DFT calculations, the Cu(II)-salen complex has been fine-tuned to fit into the pocket of the porous MWW support while keeping its chirality. This organocatalyst was shown to be a potent catalyst for the formation of the desired DHPMs product under short reaction times. Furthermore, this green protocol allows rapid and simple isolation of active MWW-trapped Cu(II)-salen scaffolds and its reusability in at least five consecutive runs without losing much of its activity.
一种负载在 MWW 结构中的 Cu(II)-salen 配合物作为高效的手性有机催化剂，被开发用于通过不对称途径合成 3,4-二氢嘧啶-2-(1H)-酮 (DHPMs) 衍生物。为了确认其结构性质，使用了单晶 X 射线衍射、粉末 XRD、BET、XPS、FE-SEM、EDX、UV-Vis 和 FTIR 光谱。通过计算机辅助的 DFT 计算，Cu(II)-salen 配合物被精细调整以适应多孔 MWW 载体的口袋，同时保持其手性。该有机催化剂在短反应时间内表现出对所需 DHPMs 产物形成的高效催化作用。此外，该绿色方案允许快速简单地分离活性 MWW 捕获的 Cu(II)-salen 支架，并在至少五个连续循环中重复使用，而不会损失其大部分活性。
