Optimizing the Heck-Matsuda Reaction in Flow with a Constraint-Adapted Direct Search Algorithm

Daniel Cortés-Borda, Ksenia V. Kutonova, Corentin Jamet, Marina E. Trusova, Françoise Zammattio, Charlotte Truchet, Mireia Rodriguez-Zubiri, François Xavier Felpin

Результат исследований: Материалы для журналаСтатья

29 Цитирования (Scopus)


The optimization of a palladium-catalyzed Heck-Matsuda reaction using an optimization algorithm is presented. We modified and implemented the Nelder-Mead method in order to perform constrained optimizations in a multidimensional space. We illustrated the power of our modified algorithm through the optimization of a multivariable reaction involving the arylation of a deactivated olefin with an arenediazonium salt. The great flexibility of our optimization method allows to fine-tune experimental conditions according to three different objective functions: maximum yield, highest throughput, and lowest production cost. The beneficial properties of flow reactors associated with the power of intelligent algorithms for the fine-tuning of experimental parameters allowed the reaction to proceed in astonishingly simple conditions unable to promote the coupling through traditional batch chemistry.

Язык оригиналаАнглийский
Страницы (с-по)1979-1987
Число страниц9
ЖурналOrganic Process Research and Development
Номер выпуска11
СостояниеОпубликовано - 18 ноя 2016


ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry


Cortés-Borda, D., Kutonova, K. V., Jamet, C., Trusova, M. E., Zammattio, F., Truchet, C., Rodriguez-Zubiri, M., & Felpin, F. X. (2016). Optimizing the Heck-Matsuda Reaction in Flow with a Constraint-Adapted Direct Search Algorithm. Organic Process Research and Development, 20(11), 1979-1987. https://doi.org/10.1021/acs.oprd.6b00310