Journal
ORGANOMETALLICS
Volume 41, Issue 10, Pages 1184-1196Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.organomet.2c00090
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Funding
- Heidelberg University
- BASF SE
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The (hydroxy)carbonylation of tertiary aliphatic alcohols and their corresponding olefins using a Ni-based catalyst system has been investigated. This study provides detailed mechanistic insights and expands the understanding of Ni-catalyzed carbonylation reactions.
The (hydroxy)carbonylation of tertiary aliphatic alcohols and their corresponding olefins with a Ni-based catalyst system is investigated. This study builds on a previous mechanistic investigation into the Ni-catalyzed carbonylation of alcohols. The findings differed from what could be explained with the previously reported mechanisms, prompting this in-depth mechanistic study. Combined experimental and quantum chemical efforts are crucial for the rationalization of the observed reactivities and ultimately help reveal another isobutene-based catalytic pathway, accessible with these substrates. This study further expands the knowledge about Ni-catalyzed carbonylation reactions, which have been known for more than 70 years but were scarcely studied in detail from a mechanistic point of view.
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