DFT/NMR integrated approach: a valid support to the total synthesis of chiral molecules

Magnetic Resonance in Chemistry : MRC
Maria Giovanna ChiniGiuseppe Bifulco

Abstract

The analysis of the configuration of kedarcidin chromophore and palau'amine through quantum chemical calculation of Js and chemical shifts suggests a fast and convenient quantum chemical approach that can be applied prior to proceeding to the total synthesis of complex natural compounds in order to avoid loss of time and resources employed in the total synthesis of wrong diastereoisomers.

References

Aug 31, 2002·Chemistry : a European Journal·Giampaolo BaroneGiuseppe Bifulco
Sep 15, 2004·Magnetic Resonance in Chemistry : MRC·Paola CiminoGiuseppe Bifulco
Feb 24, 2007·The Journal of Organic Chemistry·Malcolm S BuchananRonald J Quinn
Apr 10, 2007·Journal of the American Chemical Society·Feng RenAndrew G Myers
Jul 13, 2007·Journal of Agricultural and Food Chemistry·Carla BassarelloSonia Piacente
Aug 29, 2007·Angewandte Chemie·Matthias KöckPhil S Baran
Oct 2, 2007·Journal of the American Chemical Society·Brian A LanmanNicole S White
May 1, 1999·Journal of Computational Chemistry·Thomas A Halgren

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Citations

Apr 18, 2009·Magnetic Resonance in Chemistry : MRC·Marcelo A Muñoz, Pedro Joseph-Nathan
Dec 29, 2019·Magnetic Resonance in Chemistry : MRC·Maria Giovanna ChiniGiuseppe Bifulco
Sep 12, 2015·Angewandte Chemie·Nilamoni NathChristian Griesinger

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