- 著者
- 岡本 康 原野 一誠 安田 昌巳 大沢 映二 兼松 顕
- 出版者
- The Pharmaceutical Society of Japan
- 雑誌
- Chemical and Pharmaceutical Bulletin (ISSN:00092363)
- 巻号頁・発行日
- vol.31, no.7, pp.2526-2529, 1983-07-25 (Released:2008-03-31)
- 参考文献数
- 6
- 被引用文献数
- 8 11
The cage triketone 2 revealed different reactivities toward the thermal condition according to the substituents : the cyclobutane ring cleavage for alkyl substituents and the decarbonylation for methoxycarbonyl ones. The X-ray crystallographic study for the derivative of 2b showed a significantly long (1.635 (7) Å) C (Ph)-C (Ph) σ bond. The reaction mechanisms are discussed in terms of frontier molecular orbital (FMO) theory combined with the results of molecular mechanics and semiempirical MNDO molecular calculations.