Abstract
The MINDO3, MNDO, AM1, and PM3 methods have been used to optimize the geometries of (+)-(4S,5S)-4-(4-nitrophenyl)-1-aza-3,7-dioxabicyclo[3.3.0]octane and (+)-(4S,5S)-4-phenyl-1-aza-3,7-dioxabicyclo[3.3.0]octane. It has been shown that the stereospecificity of the reaction of the former with methyl iodide is due to the high stability of one of the possible conformers. Authors: J. Couquelet, M. Madesclaire, F. Leal, V. P. Zaitsev, and S. Kh. Sharipova. English Translation in Chemistry of Heterocyclic Compounds , 1999, 35 (10), pp 1242-1244 http://link.springer.com/article/10.1007/BF02323386
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