A Facile and Versatile Synthesis of Energetic Furazan‐Functionalized 5‐Nitroimino‐1, 2, 4‐Triazoles. (18th April 2017)

• Record Type: Journal Article
• Authors: Xu, Zhen; Cheng, Guangbin; Yang, Hongwei; Ju, Xuehai; Yin, Ping; Zhang, Jiaheng; Shreeve, Jean'ne M.
• Is Part Of: Angewandte Chemie. Volume 129:Number 21(2017)
• Page Start: 5971
• Page End: 5975
• Publication Date: 2017-04-18
• Subjects: Dichtefunktionalrechnungen -- Energetische Materialien -- Heterocyclen -- Röntgen-Beugung -- Strukturaufklärung; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201701659
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: An analogue‐oriented synthetic route for the formulation of furazan‐functionalized 5‐nitroimino‐1, 2, 4‐triazoles has been explored. The process was found to be straightforward, high yielding, and highly efficient, and scalable. Nine compounds were synthesized and the physicochemical and energetic properties, including density, thermal stability, and sensitivity, were investigated, as well as the energetic performance (e.g., detonation velocities and detonation pressures) as evaluated by using EXPLO5 code. Among the new materials, compounds4 –6 and11 possess high densities, acceptable sensitivities, and good detonation performances, and thereby demonstrate the potential applications as new secondary explosives.