Conformational analysis of N-acylazabicyclooctanes
✍ Scribed by P. Sohár; I. Pelczer; I. Váczi; A. Tombor; G. Matolcsy
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 940 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
N-
Acyl derivatives of 1,3,3-trimethyl-6-azabicyclo[3.2.l]octane were synthesized as compounds with potential pesticidal activity. The conformation of the starting compound and the substituent dependence of the amide rotamers of the acyl derivatives were studied by "H and 13C NMR spectroscopy, making use of solvent effects (ASIS) and DR, DNOE and DEPT measurements. , isomers. To establish the stereoisomerism of the rotamers, and to reveal the conformational relation-I 3 ~N H b. " N-C \ X=0(2-9) X=S(lO) 2 R:CH, 7 R:p-OMe-Ph 3 R:CHzCI
📜 SIMILAR VOLUMES
Sterically allowed forms of the poly-N-methyl-calanine chain were found by calculation of conformational energies as a function of the rotation angles of its chain bonds. The lowest energy form seems to be a right-handed, approximately threefold helix.
A new method of conformational analysis has been developed, in which energy minimization calculations are combined with lanthanide-induced shift data. First, exhaustive energy calculations are carried out on the free molecules in order to determine the conformations of lowest energy. Then, the coord