Isolation and stereochemical assignment of phthalides resulting from the Diels-Alder reaction between 5-isopropoxyfuran-2(5H)-one and cyclopentadiene
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- 作者：G.C. Resendea ; E.S. Alvarengaa ; elson@ufv.br" class="auth_mail" title="E-mail the corresponding author ; P.H. Willoughbyb
- 关键词：Phthalides ; 伪 ; 尾-unsaturated 纬-lactone ; Diels&ndash ; Alder ; DFT-GIAO ; Gaussian
- 刊名：Journal of Molecular Structure
- 出版年：2015
- 出版时间：5 December 2015
- 年：2015
- 卷：1101
- 期：Complete
- 页码：212-218
- 全文大小：789 K
文摘
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Anti-endo, anti-exo and syn-endo adducts were structurally elucidated.
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Key NMR coupling constants, and NOE interactions have been measured for all isomers.
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The MAEs determined for hydrogen chemical shifts were smaller than for carbon.
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The best isomer selections have been obtained by DP4 analyses using 13C and 1H data.