Abstract
We present a multidisciplinary investigation of some known and new 1,4,5,8-tetraazadecalin (TAD) derivatives. Their structure, static and dynamic conformational analysis, isomerization pathways and relative stabilities were studied using 1H-, 13C-, and 15N-NMR techniques. Molecular mechanics calculations were carried out using the MM2 force field and an earlier modified version for NCN containing systems. The peculiar stereoelectronic features of the CNCNC moieties in the TAD systems are emphasized.
| Original language | English |
|---|---|
| Pages (from-to) | 1013-1036 |
| Number of pages | 24 |
| Journal | Tetrahedron |
| Volume | 47 |
| Issue number | 6 |
| DOIs | |
| State | Published - 1991 |
| Externally published | Yes |
Bibliographical note
Funding Information:We are grateful to Dr. R. W. Turner for a sample of compound 10. The calculations were performed on a CYRER 170/990 computer at the Computational Center of Tel-Aviv University. We thank Dr. Hanoch Senderowitz for help with some calculations, Mrs. Sarah Weinman for technical assistance and Prof. Uri Shmueli and Prof. Israel Goldberg for crystallographical advice. This work has been supported by the Swiss National Science Foundation (to the Zurich group).
Funding
We are grateful to Dr. R. W. Turner for a sample of compound 10. The calculations were performed on a CYRER 170/990 computer at the Computational Center of Tel-Aviv University. We thank Dr. Hanoch Senderowitz for help with some calculations, Mrs. Sarah Weinman for technical assistance and Prof. Uri Shmueli and Prof. Israel Goldberg for crystallographical advice. This work has been supported by the Swiss National Science Foundation (to the Zurich group).
| Funders | Funder number |
|---|---|
| Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung |