Exploring and Re-Assessing Reverse Anomeric Effect in 2-Iminoaldoses Derived from Mono- and Polynuclear Aromatic Aldehydes.

2-iminoaldoses Schiff bases anomeric effects computational chemistry reverse anomeric effect spectroscopic characterization

Journal

Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009

Informations de publication

Date de publication:
30 Aug 2024
Historique:
received: 05 08 2024
revised: 24 08 2024
accepted: 26 08 2024
medline: 14 9 2024
pubmed: 14 9 2024
entrez: 14 9 2024
Statut: epublish

Résumé

A curious and noticeable structural feature in Schiff bases from 2-aminoaldoses is the fact that imino tautomers arranged equatorially in the most stable ring conformation exhibit a counterintuitive reverse anomeric effect (RAE) in the mutarotational equilibrium, i.e., the most stable and abundant anomer is the equatorial one (β). As shown by our very recent research, this effect arises from the total or partial inhibition of the exo-anomeric effect due to the presence of an intramolecular hydrogen bond between the anomeric hydroxyl and the iminic nitrogen in the axial anomer (α). When the Schiff base adopts either an enamine structure or the imino group is protonated, the exo-anomeric effect is restored, and the axial α-anomer becomes the most stable species. Although the intramolecular H-bonding should appropriately be interpreted as a genuine stereoelectronic effect, the magnitude of the RAE could be affected by other structural parameters. Herein and through a comprehensive analysis of benzylidene, cinnamylidene, naphthalene, phenanthrene, and anthracene aldehydes, we show the robustness of the RAE effect, which is similar in extent to simple aldehydes screened so far, irrespective of the size and/or hydrophobicity of the substituent at the nitrogen atom.

Identifiants

pubmed: 39274978
pii: molecules29174131
doi: 10.3390/molecules29174131
pii:
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : Junta de Extremadura and Fondo Europeo de Desarrollo Regional
ID : GR21039

Auteurs

Esther M S Pérez (EMS)

Department of Organic and Inorganic Chemistry, Faculty of Sciences, and IACYS-Green Chemistry and Sustainable Development Unit, University of Extremadura, 06006 Badajoz, Spain.

Esther Matamoros (E)

Department of Organic and Inorganic Chemistry, Faculty of Sciences, and IACYS-Green Chemistry and Sustainable Development Unit, University of Extremadura, 06006 Badajoz, Spain.
Departamento de Química Orgánica, Universidad de Málaga, 29071 Málaga, Spain.
Instituto de Investigación Biomédica de Málaga y Plataforma en Nanomedicina-IBIMA, Plataforma Bionand, Parque Tecnológico de Andalucía, 29590 Málaga, Spain.

Pedro Cintas (P)

Department of Organic and Inorganic Chemistry, Faculty of Sciences, and IACYS-Green Chemistry and Sustainable Development Unit, University of Extremadura, 06006 Badajoz, Spain.

Juan C Palacios (JC)

Department of Organic and Inorganic Chemistry, Faculty of Sciences, and IACYS-Green Chemistry and Sustainable Development Unit, University of Extremadura, 06006 Badajoz, Spain.

Classifications MeSH