Simple estimation of the conformational homogeneity of 2,5-disubstituted-1,3-dithianes by means of their 1H NMR spectra
✍ Scribed by Piotr P. Graczyk; Marian Mikolajczyk
- Publisher
- John Wiley and Sons
- Year
- 1992
- Tongue
- English
- Weight
- 380 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
A simple method for the correction of free energy differences, Δ__G__°~exp~, obtained via the equilibriation of 2‐substituted 5‐tert‐butyl‐1,3‐dithianes, is proposed on the basis of the ^1^H NMR data for diastereoisomers. It suggests, in contrast to the opinion of other workers, that these derivatives can be used in order to establish the preference of a substituent connected to the anomeric carbon atom. A simple procedure for the comparison of the amount of twist‐boat forms is also demonstrated.
📜 SIMILAR VOLUMES
An investigation of the molecular dynamics of substituted 1,3,4,5-tetrahydro-2H-l,Ibenzodiazepin-2-0ne derivatives revealed that these molecules adopt cycloheptadiene-like boat conformations. There is an equilibrium between the quasi-axial and the quasiequatorial conformer in which the quasi-axial c
## Abstract The ^1^H and ^13^C NMR spectra of 26 2,3‐dihydro‐[1,5]benzoxazepin‐4(5__H__)‐one derivatives and four thiono analogues are interpreted in terms of conformational equilibria. Similar to 1,3,4,5‐tetrahydro‐2__H__‐1,5‐benzodiazepin‐2‐ones, these compounds favour boat conformations of the s