Terminal hydroxylated acrylates and methacrylates were prepared by catalytic transesterification of acrylates and methacrylates with diols catalyzed by a system of a tetranuclear zinc alkoxide, [Zn(tmhd)(OMe)(MeOH)]₄ (1a), with 4 equiv. of 2,2′-bipyridine (L1). The reaction time to reach the equilibrium state was analyzed by kinetic studies and a curve-fitting analysis based on the Runge–Kutta method for optimizing the best reaction conditions for mono-esterification. In addition to these kinetic analyses, DFT calculations estimated a proposed mechanism of the catalytic transesterification.

中文翻译：

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Runge-Kutta 分析用于优化 MA 和 MMA 与二醇的 Zn 催化酯交换条件以最大化单酯化产物

末端羟基化的丙烯酸酯和甲基丙烯酸酯是通过丙烯酸酯和甲基丙烯酸酯与二醇的催化酯交换反应制备的，该反应由四核醇锌 [Zn(tmhd)(OMe)(MeOH)] ₄ ( 1a )系统催化，与 4 当量。2,2'-联吡啶 ( L1 )。通过动力学研究和基于 Runge-Kutta 方法的曲线拟合分析来分析达到平衡状态的反应时间，以优化单酯化的最佳反应条件。除了这些动力学分析之外，DFT 计算还估计了催化酯交换的拟议机制。