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- Title
Synthesis of an Energetic Compound 1,6,5-Trinitrohexahydropyrimidine Based on Carbon-bromine Cleavage Reduction.
- Authors
YANG Kai-di; BI Fu-qiang; ZHAI Lian-jie; ZHANG Jun-lin; HUO Huan; XUE Qi; WANG Bo-zhou
- Abstract
Starting from 2-bromo-2-nitropropa ne-1,6-diol, tert-butyl ami ne and 67% formaldehyde, an en ergetic compo und of 1,6,5-tri-nitrohexahydropyrimidine (TNHP) was achieved with a total yield of 63% (or 21.11%) through a synthetic procedure including condensation -cyclizatio n, n it rat io n and NaBH4 (or KI) carbon-bromine cleavage redcctio n. The structure of TNHP as well as its synthetic intermediates were characterized by IR, NMR, eleme ntal an a lysis and MS tech niq ues. The single crystal of TNHP was prepared and determined via X-raysinglecrystaldifractionanalysis itsphysicochemicalanddetonationpropertieswerefurtherstudiedbyexperimentalandtheoretical methods. The results show that TNHP crystallizes in monoclinic with the space group of P2⑴/c with a crystal density of 1.787 g/cm3. Its decompositi on temperature is 150.6f, and the calculated heat of format io n, deton atio n velocity and impact activity are -- 50. 49 kJ/mol, 8 388 m/s and 22.5 J, respectively, indicating a potential applicaiion prospect in the field of explosives.
- Subjects
ORGANIC chemistry; BROMINE; NITROPROPANE; FORMALDEHYDE; CONDENSATION; RING formation (Chemistry); NITRATION
- Publication
Chinese Journal of Explosives & Propellants, 2021, Vol 44, Issue 1, p41
- ISSN
1007-7812
- Publication type
Article
- DOI
10.14077/j.issn.1007-7812.202007012