Quantum Chemical Calculations of 1 J CC Coupling Constants for the Stereochemical Determination of Organic Compounds

Quantum chemical calculations of one-bond carbon–carbon coupling constants are demonstrated as potential probes for the configurational assignment of organic molecules. The stereochemical analysis of strychnine and its possible stereoisomers is presented as proof of concept.

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Bibliographische Detailangaben
Veröffentlicht in:	Organic letters 2013-02, Vol.15 (3), p.654-657
Hauptverfasser:	Bifulco, Giuseppe, Riccio, Raffaele, Martin, Gary E, Buevich, Alexei V, Williamson, R. Thomas
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	Quantum chemical calculations of one-bond carbon–carbon coupling constants are demonstrated as potential probes for the configurational assignment of organic molecules. The stereochemical analysis of strychnine and its possible stereoisomers is presented as proof of concept.
ISSN:	1523-7060 1523-7052
DOI:	10.1021/ol3034803