Optimizing the Heck–Matsuda Reaction in Flow with a Constraint-Adapted Direct Search Algorithm; Organic Process Research and Development; Vol. 20, iss. 11
| Parent link: | Organic Process Research and Development Vol. 20, iss. 11.— 2016.— [P. 1979–1987] |
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| 企業作者: | |
| 其他作者: | , , , , , , , |
| 總結: | Title screen 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. Режим доступа: по договору с организацией-держателем ресурса |
| 語言: | 英语 |
| 出版: |
2016
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| 主題: | |
| 在線閱讀: | http://dx.doi.org/10.1021/acs.oprd.6b00310 |
| 格式: | 電子 Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=654102 |
| 總結: | Title screen 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. Режим доступа: по договору с организацией-держателем ресурса |
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| DOI: | 10.1021/acs.oprd.6b00310 |