The Journal of Organic Chemistry

Small-ring cyclic cumulenes: the structure and energetics of cyclic butatrienes and the synthesis of 1, 2, 3-cyclononatriene

RO Angus Jr, RP Johnson

文献索引：Angus, Richard O.; Johnson, Richard P. Journal of Organic Chemistry, 1984 , vol. 49, # 16 p. 2880 - 2883

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被引用次数: 40

摘要

The possibility of incorporating a 1, 2, 3-butatriene moiety in various sized carbocyclic rings is explored through semiempirical (MNDO) and ab initio model calculations and through complete geometry optimization (MNDO) for five-through nine-membered rings. Strain in the butatriene is estimated to double with each decreasing carbon in the ring. 1, 2, 3- Cyclononatriene is synthesized for the fit time. This is likely to be the smallest isolable ...