Crystallographic evidence for cyclopropane ring formation in isotwistenes obtained by thermal cascade reactions of cyclopentadienone with acyclic conjugated dienes.
The molecular structure of the double Diels-Alder (DDA) adduct derived from three-step thermal cascade reactions of 2,5-bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone with ethyl sorbate is elucidated by single crystal X-ray analysis. The structural features and the reaction mechanism of the adduct are discussed on the basis of density functional theory (DFT) calculation results.
Yamaguchi
Koki
K
Faculty of Phamaceutical Sciences, Sojo University.
Eto
Masashi
M
Yoshitake
Yasuyuki
Y
Harano
Kazunobu
K
D018360:Crystallography, X-Ray; D003517:Cyclopentanes / Q000737:chemistry*; D003521:Cyclopropanes / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure
D003517:Cyclopentanes; D003521:Cyclopropanes; C030797:cyclopropane