title: Elemental steps of the thermodynamics of dihydropyrimidine: a new class of organic hydride donors.
abstract: 25 Dihydropyrimidine derivatives, a new class of organo-hydrides, were designed and synthesized by the Biginelli reaction. For the first time, the thermodynamic driving forces of the six elemental steps to obtain a hydride in acetonitrile were determined by isothermal titration and electrochemical methods, respectively. The effects of molecular structures and substituents on these thermodynamic parameters were examined, uncovering some interesting structure-reactivity relationships. Both the thermodynamic and kinetic studies show that the hydride transfer from dihydropyrimidines to 9-phenylxanthylium (PhXn+ClO4-) prefers a concerted mechanism.
authors.affiliation: The State Key Laboratory of Elemento-Organic Chemistry, Department of Chemistry, Collaborative Innovation Center of Chemical Science and Engineering, Nankai University, Tianjin 300071, China. mfk_823@163.com xqzhu@nankai.edu.cn.
authors.forename: Fan-Kun
authors.initials: FK
authors.lastname: Meng
authors.affiliation: The State Key Laboratory of Elemento-Organic Chemistry, Department of Chemistry, Collaborative Innovation Center of Chemical Science and Engineering, Nankai University, Tianjin 300071, China. mfk_823@163.com xqzhu@nankai.edu.cn.
authors.forename: Xiao-Qing
authors.initials: XQ
authors.lastname: Zhu