Stereochemical study of iminodihydrofurans based on experimental measurements and SOPPA calculations of (13)C-(13)C spin-spin coupling constants |
| |
| Authors: | Krivdin Leonid B Khutsishvili Spartak S Shemyakina Olesya A Mal'kina Anastasiya G Trofimov Boris A Contreras Rubén H |
| |
| Affiliation: | A. E. Favorsky Institute of Chemistry, Irkutsk, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia. krivdin_office@irioch.irk.ru |
| |
| Abstract: | Configurational assignment and conformational analysis of a series of iminodihydrofurans obtained from cyanoacetylenic alcohols were performed on the basis of experimental measurements and high-level ab initio calculations of their (13)C-(13)C spin-spin coupling constants. The title compounds were shown to form and exist in solution as the individual Z isomers, adopting the orthogonal orientation of the amino, alkylamino and dialkylamino groups and the s-trans orientation of the CONH(2) group at the C(4) position of the 2,5-dihydro-2-iminofuran moiety. |
| |
| Keywords: | NMR 13C NMR spin–spin coupling constant SOPPA configurational assignment conformational analysis iminodihydrofurans |
| 本文献已被 PubMed 等数据库收录！ |
