π‐Conjugation as a Direct Estimate of Lewis Acidity DOI Creative Commons
Daniel González‐Pinardo, Israel Fernández

Chemistry - An Asian Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 6, 2024

A computational approach to directly estimate the relative acidity of a given Lewis acid is presented. This based on strength π-conjugation in trans-crotonaldehyde-Lewis complexes, species used well-known Childs' scale. It found that π-conjugative values by Energy Decomposition Analysis - Natural Orbital for Chemical Valence method strongly correlate not only with variation bond lengths system, which are greatly affected nature acid, but also downfield shifts experienced different nuclei conjugated system upon binding acid. These strong correlations indicate (easy-to-compute) energies can be as an alternative

Language: Английский

Hydride Shuttle Catalysis: From Conventional to Inverse Mode DOI Creative Commons
Iakovos Saridakis, Immo Klose, Benjamin T. Jones

et al.

JACS Au, Journal Year: 2024, Volume and Issue: 4(9), P. 3358 - 3369

Published: Aug. 19, 2024

Hydride shuttle catalysis has emerged as a powerful synthetic platform, enabling the selective formation of C–C bonds to yield sp3-rich structures. By virtue compelling reactivity sterically encumbered Lewis acids from frustrated pair regime, hydride enables regioselective functionalization alkyl amines at either α- or β-position. In contrast classical acid reactivity, increased steric hindrance prevents interaction with basic amine itself, instead leading reversible abstraction α-carbon. The created positive charge facilitates occurrence transformations before rebound similar capture event happen. this Perspective, we outline broad selection featuring catalysis, well recently developed approach inverse catalysis. Both strategies give rise wide array functionalized and offer elegant approaches otherwise elusive bond formations.

Language: Английский

Citations

0

Strategies Employing Transition‐Metal Free Conditions for C−C Bond Formation in Indoles DOI
Balaji M. Ghodake, Sayantan Paul, Asish K. Bhattacharya

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(36)

Published: Sept. 19, 2024

Abstract Indole motifs are omnipresent in nature and can be found many natural products as well pharmaceuticals. It is for this reason synthetic transformations of indole have become a topic interest the organic medicinal chemist community decades. In review, we emphasized functionalization indoles via transition‐metal‐free approaches. This review touches on aspects different sub‐sections, which gives proposition tactics employed an overview road ahead.

Language: Английский

Citations

0

π‐Conjugation as a Direct Estimate of Lewis Acidity DOI Creative Commons
Daniel González‐Pinardo, Israel Fernández

Chemistry - An Asian Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 6, 2024

A computational approach to directly estimate the relative acidity of a given Lewis acid is presented. This based on strength π-conjugation in trans-crotonaldehyde-Lewis complexes, species used well-known Childs' scale. It found that π-conjugative values by Energy Decomposition Analysis - Natural Orbital for Chemical Valence method strongly correlate not only with variation bond lengths system, which are greatly affected nature acid, but also downfield shifts experienced different nuclei conjugated system upon binding acid. These strong correlations indicate (easy-to-compute) energies can be as an alternative

Language: Английский

Citations

0