AI Article Synopsis
- The lindenane dimeric sesquiterpenoids, known for their diverse biological activities, can be synthesized using a specific Diels-Alder reaction that shows -selectivity.
- Density functional theory (DFT) calculations were used to investigate how pyridines influence this -selectivity by analyzing the reaction mechanisms with D-A monomers.
- Findings indicate that hydrogen bonding plays a crucial role in promoting -selectivity, providing valuable insights for developing improved catalysts for Diels-Alder reactions in biomimetic synthesis.
Article Abstract
The lindenane dimeric sesquiterpenoids with versatile biological activities are accessible biometric synthesis, in which the -selective Diels-Alder reaction plays an important role. To explore the -selectivity of the Diels-Alder reaction between lindenane sesquiterpenes promoted by pyridines, density functional theory (DFT) calculations were performed to explore the reaction mechanism between pyridines and D-A monomers. The calculations performed on the reaction pathways explain why pyridines can promote -selectivity hydrogen bonding, and the hydrogen bond strength is a key factor driving the Diels-Alder reaction in major biochemical systems. These DFT-level insights will pave the way for designing better promoters for Diels-Alder reactions in biometric synthesis applications.
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| http://dx.doi.org/10.1039/d2cp04986d | DOI Listing |
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