An invocation for computational evaluation of isomerization transforms: cationic skeletal reorganizations as a case...

Area of Science:

• Organic Chemistry
• Synthetic Chemistry
• Computational Chemistry

Background:

• Cationic rearrangement reactions are crucial transformations in organic synthesis.
• Natural product total synthesis presents complex challenges requiring innovative synthetic methodologies.
• Isomerization reactions have emerged as versatile tools in modern synthetic strategies.

Purpose of the Study:

• To review the application of cationic rearrangement reactions in natural product total synthesis between 2010 and 2020.
• To highlight isomerization reactions as a key enabling strategy in synthesis.
• To advocate for the computational evaluation of isomerization reactions.

Main Methods:

• Literature review of natural product total synthesis studies.
• Analysis of synthetic routes employing cationic rearrangement and isomerization reactions.
• Discussion of computational methods applicable to isomerization studies.

Main Results:

• Cationic rearrangement reactions have been successfully employed in numerous natural product total syntheses.
• Isomerization reactions provide efficient pathways for constructing complex molecular architectures.
• Computational studies can offer valuable insights into the mechanisms and scope of isomerization reactions.

Conclusions:

• Cationic rearrangement reactions are a powerful tool in natural product synthesis.
• Isomerization reactions represent a highly productive and versatile synthetic strategy.
• Computational chemistry can significantly aid in understanding and designing isomerization-based synthetic routes.