首页> 美国卫生研究院文献>International Journal of Medicinal Chemistry >Experimental Design-Based Response Surface Methodology Optimization for Synthesis of β-Mercapto Carbonyl Derivatives as Antimycobacterial Drugs Catalyzed by Calcium Pyrophosphate
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Experimental Design-Based Response Surface Methodology Optimization for Synthesis of β-Mercapto Carbonyl Derivatives as Antimycobacterial Drugs Catalyzed by Calcium Pyrophosphate

机译:焦磷酸钙催化合成β-巯基羰基衍生物作为抗分枝杆菌药物的基于实验设计的响应面方法优化

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摘要

A simple protocol for the efficient preparation of β-mercapto carbonyl derivatives as antimycobacterial drugs has been achieved via Thia-Michael reaction between chalcones derivatives and thiols in the presence of calcium pyrophosphate as a heterogeneous catalyst under mild reaction conditions. The central composite design was used to design an experimental program to provide data to model the effects of various factors on reaction yield (Y). The variables chosen were catalyst weight (X 1), reaction time (X 2), and solvent volume (X 3). The mathematical relationship of reaction yield on the three significant independent variables can be approximated by a nonlinear polynomial model. Predicted values were found to be in good agreement with experimental values. The optimum reaction conditions for reaction model (chalcone and thiophenol) obtained by response surface were applied to other substrates. This procedure provides several advantages such as high yield, clean product formation, and short reaction time.
机译:在温和的反应条件下,在焦磷酸钙为非均相催化剂的情况下,通过查尔酮类衍生物与硫醇之间的Thia-Michael反应,已经实现了一种有效制备β-巯基羰基衍生物作为抗分枝杆菌药物的简单方案。中央复合设计用于设计实验程序,以提供数据以模拟各种因素对反应收率(Y)的影响。选择的变量是催化剂重量(X 1),反应时间(X 2)和溶剂体积(X 3)。三个非线性自变量的反应产率的数学关系可以通过非线性多项式模型来近似。发现预测值与实验值非常吻合。通过响应面获得的反应模型(查尔酮和苯硫酚)的最佳反应条件被应用于其他底物。该程序具有许多优点,例如产率高,产物形成干净和反应时间短。

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