Runge–Kutta analysis for optimizing the Zn-catalyzed transesterification conditions of MA and MMA with diols to maximize monoesterified products. Issue 21 (26th August 2021)

• Record Type: Journal Article
• Authors: Kato, Taito; Akebi, Shin-ya; Nagae, Haruki; Yonehara, Koji; Oku, Tomoharu; Mashima, Kazushi
• Is Part Of: Catalysis science & technology. Volume 11:Issue 21(2021)
• Page Start: 6975
• Page End: 6986
• Publication Date: 2021-08-26
• Subjects: Catalysis -- Periodicals; 541.395
• DOI: 10.1039/d1cy01180d
• Languages: English
• ISSNs: 2044-4753

Abstract

Abstract : Terminal hydroxylated acrylate derivatives were prepared by transesterification using zinc catalyst. The time to reach the equilibrium state was analyzed by curve-fitting analysis based on the Runge–Kutta method for optimizing the best conditions. Abstract : 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.