13C-13C spin-spin coupling constants in structural studies: XLII. Stereochemical study on functionalized 2,5-dihydrofuran-2-imines View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2008-03

AUTHORS

S. S. Khutsishvili, L. B. Krivdin, O. A. Shemyakina, V. V. Nosyreva, A. G. Mal’kina, B. A. Trofimov

ABSTRACT

The configurations and conformations of twelve 5-imino-2,5-dihydrofuran-3-carboxamides and 5-imino-2,5-dihydrofuran-3-amines were determined by analysis of the experimental 13C-13C coupling constants and those calculated by nonempirical methods, as well as by quantum-chemical calculations of the total energies and optimization of geometric parameters of preferential conformations at the MP2/6-311G** level. All the examined compounds were found to be formed and to exist in solution as individual Z isomers with orthogonal orientation of the amino and dialkylamino groups and s-trans orientation of the carbamoyl group in the ring with restricted internal rotation about the C(O)-N bond. More... »

PAGES

388-396

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070428008030135

DOI

http://dx.doi.org/10.1134/s1070428008030135

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1004522132


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