Transition States of Vicinal Diamine-Catalyzed Aldol Reactions

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• 作者：Adam Simon ; Yu-hong Lam ; K. N. Houk
• 刊名：Journal of the American Chemical Society
• 出版年：2016
• 出版时间：January 20, 2016
• 年：2016
• 卷：138
• 期：2
• 页码：503-506
• 全文大小：321K
• ISSN：1520-5126

文摘

The transition states of aldol reactions catalyzed by vicinal diamines are characterized with density functional calculations. It was found that a cyclic transition state involving a nine-membered hydrogen-bonded ring is preferred. The crown (chair–chair) conformations of the transition state account for the observed stereoselectivity of these reactions.