Palladium-Catalyzed Hydroxycarbonylation of Diisobutene: Systematic Optimization by Central Composite Design,Chemie Ingenieur Technik

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Palladium-Catalyzed Hydroxycarbonylation of Diisobutene: Systematic Optimization by Central Composite Design
Chemie Ingenieur Technik ( IF 1.5 ) Pub Date : 2022-09-28 , DOI: 10.1002/cite.202200042
Ricarda Dühren ₁ , Peter Kucmierczyk _{2,

3} , Ralf Jackstell ₁ , Robert Franke _{2,

3} , Matthias Beller ₁

Affiliation

The selection of suitable catalysts and reaction conditions are key elements for efficient process development. In this work, stability studies of homogeneous palladium catalysts used for the hydroxycarbonylation of olefins to aliphatic carboxylic acids are presented. Based on this, the hydroxycarbonylation of diisobutene, which represents an industrially relevant mixture of olefins, was investigated and optimized by means of central composite design with respect to the yield of the target product 3,5,5-trimethylhexanoic acid. The modeling succeeds with high accuracy and allows to gain information about interactions between different factors in the reaction system. This allows a more accurate prediction of the reaction behavior and permits easier future scale-up of such processes.

中文翻译：

钯催化二异丁烯的羟基羰基化：中心复合设计的系统优化

选择合适的催化剂和反应条件是有效工艺开发的关键要素。在这项工作中，介绍了用于将烯烃羟基羰基化为脂肪族羧酸的均相钯催化剂的稳定性研究。在此基础上，针对目标产物 3,5,5-三甲基己酸的收率，通过中心复合设计对代表工业相关烯烃混合物的二异丁烯的羟基羰基化进行了研究和优化。该建模以高精度成功，并允许获得有关反应系统中不同因素之间相互作用的信息。这允许更准确地预测反应行为并允许更容易地在未来扩大此类过程。

更新日期：2022-09-28

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