Search citation statements
Paper Sections
Citation Types
Year Published
Publication Types
Relationship
Authors
Journals
The reactions of 5‐nitriminotetrazole (4) with 1‐methyl‐5‐aminotetrazole (2) as well as 2‐methyl‐5‐aminotetrazole (3) were investigated. In the first reaction 2 was protonated yielding 1‐methyl‐5‐aminotetrazolium 5‐nitrimino‐1H‐tetrazolate monohydrate (7). In the latter case no protonation could be observed and a co‐crystallization of 5‐nitraminotetrazole and 2‐methyl‐5‐aminotetrazole was obtained. In this compound a new tautomer of 4 could be found. Both products were determined by low temperature single crystal X‐ray diffraction, IR, Raman and multinuclear (1H, 13C, 15N) NMR spectroscopy, elemental analysis as well as differential scanning calorimetry. In addition the heats of formation were calculated using experimentally obtained heats of combustion. With these and the X‐ray densities several detonation parameter were computed using the EXPLO5 software. In addition the sensitivities towards impact, friction and electrostatic discharge were determined. Further, two crystal structures of the important starting materials in energetic research 5‐nitriminotetrazole monohydrate (4·H2O) and 1‐methyl‐5‐nitriminotetrazolemonohydrate (5·H2O) are presented and compared with the water‐free compounds. The heats of formation of 4, 4·H2O, 5, 5·H2O have been calculated by the atomization method using the CBS basis set. Inclusion of crystal water decrease heats of formation about 265 kJ mol−1. Also the influence of crystal water on sensitivities (impact, friction, electrostatic discharge) but also performance is discussed.
The reactions of 5‐nitriminotetrazole (4) with 1‐methyl‐5‐aminotetrazole (2) as well as 2‐methyl‐5‐aminotetrazole (3) were investigated. In the first reaction 2 was protonated yielding 1‐methyl‐5‐aminotetrazolium 5‐nitrimino‐1H‐tetrazolate monohydrate (7). In the latter case no protonation could be observed and a co‐crystallization of 5‐nitraminotetrazole and 2‐methyl‐5‐aminotetrazole was obtained. In this compound a new tautomer of 4 could be found. Both products were determined by low temperature single crystal X‐ray diffraction, IR, Raman and multinuclear (1H, 13C, 15N) NMR spectroscopy, elemental analysis as well as differential scanning calorimetry. In addition the heats of formation were calculated using experimentally obtained heats of combustion. With these and the X‐ray densities several detonation parameter were computed using the EXPLO5 software. In addition the sensitivities towards impact, friction and electrostatic discharge were determined. Further, two crystal structures of the important starting materials in energetic research 5‐nitriminotetrazole monohydrate (4·H2O) and 1‐methyl‐5‐nitriminotetrazolemonohydrate (5·H2O) are presented and compared with the water‐free compounds. The heats of formation of 4, 4·H2O, 5, 5·H2O have been calculated by the atomization method using the CBS basis set. Inclusion of crystal water decrease heats of formation about 265 kJ mol−1. Also the influence of crystal water on sensitivities (impact, friction, electrostatic discharge) but also performance is discussed.
The Alzheimer's disease (AD) is acknowledged as the most common type of dementia in aging adults. It is characterized by the formation of intracellular neurofibrillary tangles and extracellular amyloid plaques. The latter insoluble deposits mainly consist of β-amyloid peptides (Aβ), which are the derivatives of the amyloid precursor protein (APP). The formation of neurotoxic Aβ-peptides involves the cleavage of APP with beta-secretase enzyme (beta-site APP cleaving enzyme 1, BACE1) so the potential of BACE1 inhibitors as therapeutic agents for AD is now drawing much attention. The patent application WO2016023927 reports the preparation of new 1,2,4-thiadiazine inhibitors of BACE1 activity and their use as therapeutically active substances. Some of the new compounds are claimed to be good inhibitors with the IC values in the 0.000292-0.134165 μM range. Several pharmaceutical preparations based on these compounds are proposed for possible treatment and prevention of AD. Expert opinion: In light of the novelty from the chemical point of view and improved biological activity, the reported 2,2,2-trifluoroethylthiadiazines could be considered as promising BACE1 inhibitors. However, the available data are insufficient to make a recommendation if these compounds can be considered as drug candidates. Further studies with a larger number of compounds are required. The compounds described in the patent have to be characterized more thoroughly from the chemical viewpoint (e.g., by means of IR, H andC NMR spectroscopy, X-ray crystallography), especially as regards stereochemical details.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.