Beilstein J. Org. Chem.2013,9, 2156–2167, doi:10.3762/bjoc.9.253
CAI de Difracción de Rayos-X, Facultad de Ciencias Químicas, UCM, 28040-Madrid, Spain Instituto de Química Médica, Centro de Química Orgánica Manuel Lora-Tamayo, IQM-CSIC, Juan de la Cierva 3, 28006-Madrid, Spain 10.3762/bjoc.9.253 Abstract Two novel tetrafluorinated 1,5-benzodiazepinones were
solid state.
Keywords: benzodiazepinones; DFT; GIAO calculations; inversion barriers; multinuclear NMR; tautomerism; X-ray structures; Introduction
In our previous paper [1] we already reported the relevance of 1,5-benzodiazepine derivatives in central nervous system pathologies as well as for other
their calculated parameters, we report in the present publication the experimental and theoretical studies of 1,5-benzodiazepinones 1–6; note that only compounds 1 and 2 are new; for compounds 3–6 we used literature data together with new computational results.
Results and Discussion
Synthesis
6,7,8,9
PDF
Graphical Abstract
Figure 1:
The six 1,5-benzodiazepinones discussed in this paper together with clobazam.