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Intramolekulare Beweglichkeit eines Dibenzo‐[b, f]‐1,4‐thiazepin‐5‐oxids. 13. Mitteilung über siebengliedrige Heterocyclen
Author(s) -
Michaelis W.,
Gauch R.
Publication year - 1969
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19690520831
Subject(s) - chemistry , oxygen atom , aqueous solution , oxygen , intramolecular force , oxide , kinetics , medicinal chemistry , atom (system on chip) , stereochemistry , group (periodic table) , molecule , organic chemistry , physics , quantum mechanics , computer science , embedded system
The kinetics of the equilibrium in aqueous solution between the diasteromers of 2‐Chloro‐11‐(4‐methyl‐1‐piperazinyl‐4‐oxide)‐dibenzo‐[b, f]‐1,4‐thiazepine‐5‐oxide (V) have been investigated. Both isomers differ in the position of the oxygen atom of the sulphoxide group. The sulphoxide group. The isomer with a pseudo‐equatorial oxygen atom is 0.75 kcal/mol more stable than the isomer with the pseudo‐axial oxygen atom. The calculated free energies of activation δ G ≠ are 24.6 kcal/mol and 23.9 kcal/mol.