scholarly journals Potassium (3-Methyl-2-oxido-1,2,5-oxadiazol-4-yl)dinitromethanide

Molbank ◽  
10.3390/m1301 ◽  
2021 ◽  
Vol 2021 (4) ◽  
pp. M1301
Author(s):  
Egor S. Zhilin ◽  
Dmitry B. Meerov ◽  
Leonid L. Fershtat
Keyword(s):  
Thermal Stability ◽  
Nmr Spectroscopy ◽  
Elemental Analysis ◽  
Energetic Materials ◽  
Mechanical Sensitivity ◽  
Prepared Compound ◽  
Reduction Reactions ◽  
14N Nmr

Furoxan derivatives enriched with explosophoric functionalities are promising compounds in the preparation of novel energetic materials. Herein, a previously unknown potassium (3-methyl-2-oxido-1,2,5-oxadiazol-4-yl)dinitromethanide (also referred to as potassium 4-dinitromethyl-3-methylfuroxanate) was synthesized via tandem nitration-reduction reactions of an available (furoxanyl)chloroxime. The structure of the synthesized compound was established by elemental analysis, IR, 1H, 13C and 14N NMR spectroscopy. Thermal stability and mechanical sensitivity of the prepared compound toward impact and friction were experimentally determined.

5,6-Fused bicyclic tetrazolo-pyridazine energetic materials

2020 ◽  
Vol 56 (10) ◽  
pp. 1493-1496 ◽  
Author(s):  
Sitong Chen ◽  
Yuji Liu ◽  
Yongan Feng ◽  
Xianjin Yang ◽  
Qinghua Zhang
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
High Thermal Stability ◽  
Mechanical Sensitivity ◽  
Energetic Properties

Two 5,6-fused tetrazolo-pyridazine compounds were synthesized and characterized, which exhibited high thermal stability, excellent energetic properties and low mechanical sensitivity.

scholarly journals Nitro-, Cyano-, and Methylfuroxans, and Their Bis-Derivatives: From Green Primary to Melt-Cast Explosives

Molecules ◽  
2020 ◽  
Vol 25 (24) ◽  
pp. 5836
Author(s):  
Alexander A. Larin ◽  
Dmitry M. Bystrov ◽  
Leonid L. Fershtat ◽  
Alexey A. Konnov ◽  
Nina N. Makhova ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
Decomposition Temperature ◽  
Pentaerythritol Tetranitrate ◽  
Mechanical Stimuli ◽  
Mechanical Sensitivity ◽  
Isodesmic Reactions ◽  
Formation Enthalpies ◽  
Methyl Derivatives ◽  
Derivatives Of

In the present work, we studied in detail the thermochemistry, thermal stability, mechanical sensitivity, and detonation performance for 20 nitro-, cyano-, and methyl derivatives of 1,2,5-oxadiazole-2-oxide (furoxan), along with their bis-derivatives. For all species studied, we also determined the reliable values of the gas-phase formation enthalpies using highly accurate multilevel procedures W2-F12 and/or W1-F12 in conjunction with the atomization energy approach and isodesmic reactions with the domain-based local pair natural orbital (DLPNO) modifications of the coupled-cluster techniques. Apart from this, we proposed reliable benchmark values of the formation enthalpies of furoxan and a number of its (azo)bis-derivatives. Additionally, we reported the previously unknown crystal structure of 3-cyano-4-nitrofuroxan. Among the monocyclic compounds, 3-nitro-4-cyclopropyl and dicyano derivatives of furoxan outperformed trinitrotoluene, a benchmark melt-cast explosive, exhibited decent thermal stability (decomposition temperature >200 °C) and insensitivity to mechanical stimuli while having notable volatility and low melting points. In turn, 4,4′-azobis-dicarbamoyl furoxan is proposed as a substitute of pentaerythritol tetranitrate, a benchmark brisant high explosive. Finally, the application prospects of 3,3′-azobis-dinitro furoxan, one of the most powerful energetic materials synthesized up to date, are limited due to the tremendously high mechanical sensitivity of this compound. Overall, the investigated derivatives of furoxan comprise multipurpose green energetic materials, including primary, secondary, melt-cast, low-sensitive explosives, and an energetic liquid.

THERMAL STABILITY AND COMBUSTION BEHAVIORS OF ENERGETIC MATERIALS BASED ON A NEW HETEROCYCLE AZASYDNONE

2018 ◽  
Vol 17 (2) ◽  
pp. 147-170 ◽  
Author(s):  
Valery V. Serushkin ◽  
Valery P. Sinditskii ◽  
Sergey A. Filatov ◽  
P. D. Kulagina ◽  
V. T. Nguyen ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
Combustion Behaviors

New Pyrrolo[1,2-b]pyridazine Derivatives by 1,3-Dipolar Cycloaddition of Mesoionic Oxazolopyridazinone

2008 ◽  
Vol 59 (11) ◽  
Author(s):  
Miron Teodor Caproiu ◽  
Florea Dumitrascu ◽  
Mino R. Caira
Keyword(s):  
Nmr Spectroscopy ◽  
Elemental Analysis ◽  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
Pyridazine Derivatives ◽  
New Compounds

New pyrrolo[1,2-b]pyridazine derivatives 8a-f were synthesized by 1,3-dipolar cycloaddition reaction between mesoionic 1,3-oxazolo[3,2-b]pyridazinium-2-oxides and diethyl or diisopropyl acetylenedicarboxylate as alkyne dipolarophiles. The structures of the new compounds were assigned by elemental analysis and NMR spectroscopy.

scholarly journals Ambient-Temperature Synthesis of (E)-N-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5-yl)-1-(pyridin-2-yl)methanimine

Molbank ◽  
10.3390/m1250 ◽  
2021 ◽  
Vol 2021 (3) ◽  
pp. M1250
Author(s):  
Diana Becerra ◽  
Justo Cobo ◽  
Juan-Carlos Castillo
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Ambient Temperature ◽  
Magnesium Sulfate ◽  
Elemental Analysis ◽  
Condensation Reaction ◽  
2D Nmr ◽  
2D Nmr Spectroscopy ◽  
Temperature Synthesis ◽  
Tert Butyl

We report the ambient-temperature synthesis of novel (E)-N-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-1-(pyridin-2-yl)methanamine 3 in 81% yield by a condensation reaction between 3-(tert-butyl)-1-methyl-1H-pyrazol-5-amine 1 and 2-pyridinecarboxaldehyde 2 in methanol using magnesium sulfate as a drying agent. The N-pyrazolyl imine 3 was full characterized by IR, 1D, and 2D NMR spectroscopy, mass spectrometry, and elemental analysis.

Series of AzTO-Based Energetic Materials: Effect of Different π–π Stacking Modes on Their Thermal Stability and Sensitivity

Langmuir ◽  
2021 ◽  
Author(s):  
Jinhao Zhang ◽  
Bo Jin ◽  
Yulan Song ◽  
Wenjia Hao ◽  
Jiao Huang ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Energetic Materials ◽  
Π Stacking

scholarly journals Taming nitroformate through encapsulation with nitrogen-rich hydrogen-bonded organic frameworks

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jichuan Zhang ◽  
Yongan Feng ◽  
Richard J. Staples ◽  
Jiaheng Zhang ◽  
Jean’ne M. Shreeve
Keyword(s):  
Thermal Stability ◽  
Hydrogen Bonds ◽  
Self Assembly ◽  
Energetic Materials ◽  
Decomposition Temperature ◽  
High Oxygen Content ◽  
The Poor ◽  
Simple Preparation ◽  
First Time ◽  
Hydrogen Bonded

AbstractOwing to its simple preparation and high oxygen content, nitroformate [−C(NO2)3, NF] is an extremely attractive oxidant component for propellants and explosives. However, the poor thermostability of NF-based derivatives has been an unconquerable barrier for more than 150 years, thus hindering its application. In this study, the first example of a nitrogen-rich hydrogen-bonded organic framework (HOF-NF) is designed and constructed through self-assembly in energetic materials, in which NF anions are trapped in pores of the resulting framework via the dual force of ionic and hydrogen bonds from the strengthened framework. These factors lead to the decomposition temperature of the resulting HOF-NF moiety being 200 °C, which exceeds the challenge of thermal stability over 180 °C for the first time among NF-based compounds. A large number of NF-based compounds with high stabilities and excellent properties can be designed and synthesized on the basis of this work.

The State of Asymmetric Nitride Clusters in Endohedral Fullerenes as Studied by 14N NMR Spectroscopy: Experiment and Theory

2011 ◽  
Vol 115 (31) ◽  
pp. 15257-15265 ◽  
Author(s):  
Alexey A. Popov ◽  
Sandra Schiemenz ◽  
Stanislav M. Avdoshenko ◽  
Shangfeng Yang ◽  
Gianaurelio Cuniberti ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
The State ◽  
Endohedral Fullerenes ◽  
Spectroscopy Experiment ◽  
14N Nmr

An Intramolecular Boron Nitrogen Lewis Acid Base Pair on a Rigid Naphthyl Backbone

2012 ◽  
Vol 67 (6) ◽  
pp. 589-593 ◽  
Author(s):  
Daniel Winkelhaus ◽  
Beate Neumann ◽  
Norbert W. Mitzel
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Lewis Acid ◽  
Elemental Analysis ◽  
Base Pair ◽  
Ring System ◽  
X Ray Diffraction ◽  
Acid Base ◽  
X Ray ◽  
Boron Nitrogen

The reaction of (C6F5)2BCl with 8-lithio-N,N-dimethyl-1-naphthylamine (1) afforded the fivemembered ring system 8-bis(pentafluorophenyl)boryl-N,N-dimethyl-1-naphthylamine (2) with an intramolecular dative B-N bond. The compound was characterised by elemental analysis, NMR spectroscopy and single-crystal X-ray diffraction.

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