Synthetic manifestation of trinitro-pyrazolo-2-1,2,3-triazoles (TNPT) as insensitive energetic materials.

This study showcases the design and development of a facile method for synthesizing trinitro-pyrazolo-triazole (TNPT) and its derivatives. The synthesized compounds are analysed using multinuclear NMR [H, C, and N] and HRMS analyses. Furthermore, X-ray diffraction studies confirm the structure of some TNPT derivatives.

Polynitro--aryl-C-nitro-pyrazole/imidazole Derivatives: Thermally Stable-Insensitive Energetic Materials.

A wide array of methoxy-substituted-polynitro-aryl-pyrazole/imidazoles with readily oxidizable -NH/NO/NHNO/diazo functional groups is synthesized. Single crystal X-ray diffraction (XRD) analysis confirms the molecular structure of the compounds. Energetic properties of the synthesized compounds are determined by theoretical and experimental studies.

Lewis Acid-Driven Meyer-Schuster-Type Rearrangement of Yne-Dienone.

Developed herein is a Cu(II)-catalyzed Meyer-Schuster-type rearrangement of alkyne-tethered cyclohexadienone for the construction of -enone-substituted phenols. The reaction involves an uncommon 5--trig 1,6-enyne cyclization of alkyne-tethered-cyclohexadienone, aromatization-triggered C-O bond cleavage, and an electrocyclic 4π-ring-opening of oxetene intermediate. This atom-efficient transformation provides access to a wide range of synthetically important α-(-substituted phenol)-α,β-unsaturated ketones, featuring a broad scope with labile functional group tolerance.

Octanitropyrazolopyrazole: a gem-trinitromethyl based green high-density energetic oxidizer.

Environmental concerns demand the replacement of ammonium perchlorate (AP) by a green oxidizer in composite propellants. Herein, we report the synthesis and characterization of a novel green high-density energetic oxidizer octanitropyrazolopyrazole (ONPP). With its high specific impulse (256 s), high density (1.

Time-Domain Terahertz Spectroscopy and Density Functional Theory Studies of Nitro/Nitrogen-Rich Aryl-Tetrazole Derivatives.

The paper reports the time-domain THz spectroscopy studies of noncentrosymmetric energetic nitro/nitrogen-rich aryl-tetrazole high-energy molecules. The fingerprint spectra in the THz domain reveal the role of different functional groups attached to position "1" of the tetrazole moiety, which controls the energetic properties. These responses are deliberated through density functional theory (DFT) calculations.

Construction of Pyranoisoquinolines via Ru(II)-Catalyzed Unsymmetrical Double Annulation of -Methoxybenzamides with Unactivated Alkynes.

A ruthenium (Ru)-catalyzed double annulation of easily accessible -methoxybenzamide derivatives with unactivated alkynes for the synthesis of unusual 6,6-fused pyranoisoquinolines is described. Both -C-H bonds of arenes and the N- and O-moieties of -methoxybenzamides are involved in the construction of four [(C-C)-(C-N) and (C-C)-(C-O)] bonds in one step under single catalytic conditions. The unsymmetrical annulation of -methoxybenzamides with two distinct alkynes is also demonstrated.

Triazole-substituted nitroarene derivatives: synthesis, characterization, and energetic studies.

A series of dense and energetic polynitroaryl-1,2,4-triazoles were synthesized through the nitration of aryl-1,2,4-triazoles. The Cu-catalyzed/base-mediated coupling reactions of haloarenes with 1,2,4-triazoles delivered N-aryl-1,2,4-triazoles. These new nitro-rich-aryltriazoles were characterized by analytical and spectroscopic methods.