An improved mechanistic model for the diastereoselective addition of Grignard reagents to N-(tert-butylsulfinyl)imines

Q: What type of study is this?

This is a Computational Study study.

David Guijarro

doi:10.1039/d4ra06560c

January 1, 2025RSC AdvancesOpen Access

An improved mechanistic model for the diastereoselective addition of Grignard reagents to N-(tert-butylsulfinyl)imines

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Key Points

The proposed model achieved a close match between calculated and experimental diastereomeric ratios.
Introducing an explicit molecule of Et2O significantly improved model accuracy for diastereoselective addition.
The study focuses on the mechanistic modeling of Grignard reagents with N-(tert-butylsulfinyl)imines.
The findings suggest enhancements in computational studies for better prediction of reaction outcomes.

Implication

Computational study reveals improved agreement between calculated and experimental diastereomeric ratios, highlighting Grignard reagents' role.

Abstract

A close match between the calculated and the experimental diastereomeric ratios was obtained by introducing an explicit molecule of Et 2 O in the model for the computational study.

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Cite This Study

David Guijarro (2025) studied this question.

synapsesocial.com/papers/68c183fe9b7b07f3a060ffac https://doi.org/10.1039/d4ra06560c

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An improved mechanistic model for the diastereoselective addition of Grignard reagents to N-(tert-butylsulfinyl)imines

Key Points

Implication

Abstract

Discussion

Cite This Study

An improved mechanistic model for the diastereoselective addition of Grignard reagents to N-(tert-butylsulfinyl)imines

Key Points

Implication

Abstract

Discussion

Cite This Study

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