Synthesis, NMR data and theoretical study of semi-synthetic derivatives from trans-dehydrocrotonin
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- 作者：Breno Almeida Soaresa ; Maria Aparecida Medeiros Maciela ; b ; Rosane Nora Castroc ; Carlos R. Kaiserd ; Caio Lima Firmea ; firme.caio@gmail.com" class="auth_mail" title="E-mail the corresponding author ; caiofirme@quimica.ufrn.br" class="auth_mail" title="E-mail the corresponding author
- 关键词：t-DCTN ; t-CTN ; t-CTN-OL ; NMR ; QTAIM ; DFT
- 刊名：Journal of Molecular Structure
- 出版年：2016
- 出版时间：15 March 2016
- 年：2016
- 卷：1108
- 期：Complete
- 页码：533-541
- 全文大小：1945 K
文摘
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Highly stereospecific hydrogenation from t-DCTN to form 4(R)-t-CTN diastereoisomer.
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NaBH4/ethanol reduction of t-CTN affording t-CTN-OL epimeric mixture.
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Most stable conformer of t-CTN has six intramolecular bonded interactions.