Crystal structures of proline-derived enamines
Crystal structures of proline-derived enamines
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DOI：
10.1073/pnas.1006509107
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发表时间：
2010-11-30
影响因子：
11.1
通讯作者：
List, Benjamin
中科院分区：
文献类型：
--
作者：
Bock, Dominique Anna;Lehmann, Christian W.;List, Benjamin
的分离和结构表征的两个异构体和酮衍生的脯氨酸烯胺酮的报告和讨论。10种脯氨酸烯胺的晶体结构提供了立体化学方面的信息，即，双键构型和羧酸酯相对于烯胺双键的顺式与反式定位。此外，得到的晶体结构进行了比较与密度泛函理论计算的基态和过渡态的结构和假设的Seebach-Eschenmoser过渡态。
The isolation and structural characterization of both aldehyde-and ketone-derived proline enaminones are reported and discussed. Crystal structures of 10 proline enamines provide information on stereochemical aspects, i.e., double bond configuration and syn-vs. anti-positioning of the carboxylate relative to the enamine double bond. Furthermore, the obtained crystal structures are compared with the density functional theory-calculated structures of the ground and transition state and the postulated Seebach-Eschenmoser transition state.