Optical Resolution, Absolute Configuration, and Chiroptical Properties of Three-Layered [3.3]Paracyclophane(1)

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• 作者：Atsuya Muranaka ; Masahiko Shibahara ; Motonori Watanabe ; Taisuke Matsumoto ; Teruo Shinmyozu ; Nagao Kobayashi
• 刊名：Journal of Organic Chemistry
• 出版年：2008
• 出版时间：November 21, 2008
• 年：2008
• 卷：73
• 期：22
• 页码：9125-9128
• 全文大小：300K
• 年卷期：v.73,no.22(November 21, 2008)
• ISSN：1520-6904

文摘

A racemic mixture of three-layered [3.3]paracyclophane ([3.3]PCP), 1, has been resolved into two enantiomers, and their absolute configuration was determined from a comparison of experimental chiroptical properties and density functional theory (DFT) calculations. A simple model comprising two p-xylenes and 1,2,4,5-tetramethylbenzene (durene) was used to explain the origin of the chiroptical properties of the three-layered cyclophane system.