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NMR spectra and conformational analysis of substituted 1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one derivatives

✍ Scribed by Farnaz Malik; Mashooda Hassan; Doris Rosenbaum; Helmut Duddeck

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
400 KB
Volume
27
Category
Article
ISSN
0749-1581

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✦ Synopsis

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 conformer is predominant. The difference in their conformational energies is less than 1 kcal mol-'. The most important factor influencing the energy barrier between the conformers is the presence of a substituent other than hydrogen at N-1. Our findings disprove earlier reports by other workers.

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