Experimental and Theoretical Investigation of Epoxide Quebrachitol Derivatives Through Spectroscopic Analysis

Two synthetic epoxide derivatives, important intermediates in organic synthesis, were obtained from l-quebrachitol, and their conformations were proposed based on spectroscopic analysis. Density functional theory (DFT) calculations of infrared and NMR spectra were shown to be reliable enough for org...

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Bibliographic Details
Published in:Organic letters 2010-12, Vol.12 (23), p.5458-5461
Main Authors: De Almeida, Mauro V, De Assis, João Vitor, Couri, Mara Rubia C, Anconi, Cleber P. A, Guerreiro, Mário C, Dos Santos, Hélio F, De Almeida, Wagner B
Format: Article
Language:English
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Summary:Two synthetic epoxide derivatives, important intermediates in organic synthesis, were obtained from l-quebrachitol, and their conformations were proposed based on spectroscopic analysis. Density functional theory (DFT) calculations of infrared and NMR spectra were shown to be reliable enough for organic chemistry applications. The observed structures were determined with the aid of the DFT spectroscopic data, stressing the relevance and utility of combined experimental/theoretical studies and also the usefulness of the 13C NMR B3LYP/6-31G(d,p) calculations.
ISSN:1523-7060
1523-7052
DOI:10.1021/ol102305x