Neuman, Peter N.’s team published research in Journal of Heterocyclic Chemistry in 8 | CAS: 14544-45-7

Journal of Heterocyclic Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Application In Synthesis of 14544-45-7.

Neuman, Peter N. published the artcileNitro derivatives of phenyl-1,2,3-triazole, Application In Synthesis of 14544-45-7, the publication is Journal of Heterocyclic Chemistry (1971), 8(1), 51-6, database is CAplus.

A number of tri- and tetranitro-N-phenyl-1,2,3-triazolyl compounds were synthesized by a combination of condensation, cycloaddition, and nitration reactions, and their crystal densities, impact sensitivities, and thermal stabilities were determined

Journal of Heterocyclic Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Application In Synthesis of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Wu, Qiong’s team published research in Structural Chemistry in 24 | CAS: 14544-45-7

Structural Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C18H26ClN3O, Synthetic Route of 14544-45-7.

Wu, Qiong published the artcileMolecular design of trinitromethyl-substituted nitrogen-rich heterocycle derivatives with good oxygen balance as high-energy density compounds, Synthetic Route of 14544-45-7, the publication is Structural Chemistry (2013), 24(5), 1725-1736, database is CAplus.

D. functional theory method was used to study the heats of formation (HOFs), electronic structure, energetic properties, and pyrolysis mechanism of a series of trinitromethyl-substituted heterocycle (including triazole, tetrazole, furazan, tetrazine, and fused heterocycles) derivatives It is found that the fused ring, tetrazine and tetrazole are effective structural units for increasing the HOFs of the derivatives The substitution of the combination of nitro and trinitromethyl is very useful for improving their HOFs. The calculated energetic properties indicate that the combination of the nitro and trinitromethyl is very helpful for improving their detonation properties and oxygen balances (OB). Most of the title compounds have a good OB over zero. The OB of six compounds are very high and over 22. An anal. of the bond dissociation energies for several relatively weak bonds suggests that the N-O bond in the ring is a trigger bond for BIII-1, CI-3, and CI-4, and the ring-NO2 and (NO2)2C-NO2 bond cleavage is likely to happen in thermal decomposition for the remaining compounds Considering the detonation performance and thermal stability, seven compounds could be regarded as potential candidates for high-energy compounds Four compounds may be used as the novel high-energy oxidizers.

Structural Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C18H26ClN3O, Synthetic Route of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Lei, Fengbin’s team published research in Binggong Xuebao in 32 | CAS: 14544-45-7

Binggong Xuebao published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Quality Control of 14544-45-7.

Lei, Fengbin published the artcileTheoretical research on structures and detonation performance for nitro derivatives of triazole, Quality Control of 14544-45-7, the publication is Binggong Xuebao (2011), 32(1), 8-16, database is CAplus.

Twenty-one nitrotriazole compounds and its derivatives were calculated by d. functional theory. Their optimized geometries and electronic structures were computed at the B3LYP/6-31 + G (d,p) level. The optimized geometries of these compounds show that they have no imaginary frequencies, and they are stable on the potential energy surface. The heat capacity and enthalpy of some representative compounds at different temperatures were obtained by statistic thermodn. In order to calculate the standard enthalpies of formation for the derivatives of nitrotriazole, the isodesmic reactions were designed. The average molar volume and theor. d. were estimated using the Monte-Carlo method based on 0.001 e · bohr-3 d. space. Furthermore, the detonation velocity and pressure of the derivatives were estimated using the Kamlet-Jacbos equation. The ring of triazole has some aromaticity and the detonation velocities of these compounds are between 7.08 and 9.53 km/s. Detonation performance shows that these compounds are very good candidates for energetic material.

Binggong Xuebao published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Quality Control of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Lu, Meiheng’s team published research in Journal of Physical Chemistry A in 124 | CAS: 14544-45-7

Journal of Physical Chemistry A published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Recommanded Product: 5-Nitro-1H-1,2,3-triazole.

Lu, Meiheng published the artcileThermochemistry and Initial Decomposition Pathways of Triazole Energetic Materials, Recommanded Product: 5-Nitro-1H-1,2,3-triazole, the publication is Journal of Physical Chemistry A (2020), 124(15), 2951-2960, database is CAplus and MEDLINE.

A thorough investigation of the initial decomposition pathways of triazoles and their nitro-substituted derivatives has been conducted using the MP2 method for optimization and DLPNO-CCSD(T) method for energy. Different initial thermolysis mechanisms are proposed for 1,2,4-triazole and 1,2,3-triazole, the two kinds of triazoles. The higher energy barrier of the primary decomposition path of 1,2,4-triazole (H-transfer path, ~52 kcal/mol) compared with that of 1,2,3-triazole (ring-open path, ~45 kcal/mol) shows that 1,2,4-triazole is more stable, consistent with exptl. observations. For nitro-substituted triazoles, more dissociation channels associated with the nitro group have been obtained and found to be competitive with the primary decomposition paths of the triazole skeleton in some cases. Besides, the effect of the nitro group on the decomposition pattern of the triazole skeleton has been explored, and it has been found that the electron-withdrawing nitro group has an opposite effect on the primary dissociation channels of 1,2,4-triazole derivatives and 1,2,3-triazole derivatives

Journal of Physical Chemistry A published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Recommanded Product: 5-Nitro-1H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Zhu, Shuangfei’s team published research in Journal of Physical Chemistry A in 125 | CAS: 14544-45-7

Journal of Physical Chemistry A published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C15H12O8, HPLC of Formula: 14544-45-7.

Zhu, Shuangfei published the artcileInitial Steps and Thermochemistry of Unimolecular Decomposition of Oxadiazole Energetic Materials: Quantum Chemistry Modeling, HPLC of Formula: 14544-45-7, the publication is Journal of Physical Chemistry A (2021), 125(36), 7929-7939, database is CAplus and MEDLINE.

In order to resolve the existing discrepancies in the mechanism and key intermediates of oxadiazole thermolysis, the initial decomposition pathways of oxadiazoles have been studied comprehensively using the M062X method for optimization and CBS-QB3 and DLPNO-CCSD(T) methods for energies. The transformation from the furoxan ring to nitro group was suggested as a potential decay channel of furoxan compounds Results of thermochem. calculations showed that the preferred decomposition reaction of oxadiazoles is the ring-opening through the cleavage of the O-C or O-N bond. The introduction of the nitro group has little effect on the preferential path of oxadiazole thermal decomposition, but a great impact on the energy barrier. The lowest energy barrier and bond dissociation energy of NO2 loss of azoles were comprehensively studied based on the quantum chem. calculations The initial decay steps of 3,4-dinitrofurazanfuroxan and benzotrifuroxan were also studied to give insights into the mechanism of primary stages of thermal decomposition of oxadiazoles.

Journal of Physical Chemistry A published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C15H12O8, HPLC of Formula: 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Semenov, V. V.’s team published research in Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya in | CAS: 14544-45-7

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C8H15BN2O2, Quality Control of 14544-45-7.

Semenov, V. V. published the artcileNitroazole alkylation with α-haloketones – carbon-13, nitrogen-15, nitrogen-14 NMR study, Quality Control of 14544-45-7, the publication is Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya (1990), 1827-37, database is CAplus.

A general method for alkylation of nitroazoles (35 compounds) by BrCH2COMe, N2CHCOMe, and BrCOPh in homogeneous media and under phase-transfer catalyzed conditions to give acetonyl or phenacyl derivatives is described. Thus, treating imidazole with KOH in H2O or solvent with BrCH2COMe 20 h at 20° gave 80% 1-acetonylimidazole whose structure was confirmed by spectral data.

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C8H15BN2O2, Quality Control of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Semenov, V. V.’s team published research in Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya in | CAS: 14544-45-7

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C8H15BN2O2, Quality Control of 14544-45-7.

Semenov, V. V. published the artcileNitroazole alkylation with α-haloketones – carbon-13, nitrogen-15, nitrogen-14 NMR study, Quality Control of 14544-45-7, the publication is Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya (1990), 1827-37, database is CAplus.

A general method for alkylation of nitroazoles (35 compounds) by BrCH2COMe, N2CHCOMe, and BrCOPh in homogeneous media and under phase-transfer catalyzed conditions to give acetonyl or phenacyl derivatives is described. Thus, treating imidazole with KOH in H2O or solvent with BrCH2COMe 20 h at 20° gave 80% 1-acetonylimidazole whose structure was confirmed by spectral data.

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C8H15BN2O2, Quality Control of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Kizhnyaev, V. N.’s team published research in Russian Journal of Applied Chemistry in 82 | CAS: 14544-45-7

Russian Journal of Applied Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Quality Control of 14544-45-7.

Kizhnyaev, V. N. published the artcileSynthesis of energetic polynuclear and polymeric nitroazole systems, Quality Control of 14544-45-7, the publication is Russian Journal of Applied Chemistry (2009), 82(10), 1769-1775, database is CAplus.

Interaction of cyanuric chloride and its mono and dichloro derivatives with ammonium or sodium 4-nitro-1,2,3-triazolates and polymer-analogous transformations of tetrazole-containing polymers were used to synthesize polynuclear systems and macromol. compounds with heterocyclic structures bearing explosophoric groups.

Russian Journal of Applied Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Quality Control of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Maiorana, Stefano’s team published research in Tetrahedron Letters in | CAS: 14544-45-7

Tetrahedron Letters published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Recommanded Product: 5-Nitro-1H-1,2,3-triazole.

Maiorana, Stefano published the artcileEnamines. Reactions of sulfonyl- and nitroenamines with azides, Recommanded Product: 5-Nitro-1H-1,2,3-triazole, the publication is Tetrahedron Letters (1966), 6043-5, database is CAplus.

The reaction of aryl azides with enamines containing an SO2Ph, SO2C6H4NO2, or NO2 function in the β-position to the N atom was investigated. Treatment of ClCH:CHSO2Ph and p-O2NC6H4SO2CH:CHCl with morpholine gave the sulfonylenamines β-morpholinovinyl phenyl sulfone (I), m. 158°, and β-morpholinovinyl 4-nitrophenyl sulfone (II). PhN3 and 1-morpholino-2-nitroethylene (III) kept several days at 80° in a sealed tube, and then heated 5 days in refluxing EtOH containing 4-O2NC6-H4N3 gave 1-phenyl-4-nitrotriazole (IV), m. 134°, and 1-(4-nitrophenyl)-4-nitrotriazole, m. 201-2°. IV was catalytically hydrogenated to the corresponding 1-phenyl-4-aminotriazole, m. 108°. The enamines I, II, III refluxed 12-24 hrs. in alc. with p-MeC6H4SO2N3 yielded 50-80% 4-phenylsulfonyltriazole, m. 166°; 4-(p-nitrophenylsulfonyl)triazole (V), m. 212°; and 4-nitrotriazole, m. 158°, soluble in H2O giving a solution with Ka 1.6 × 10-5 at 20°. Neither diazo compounds nor amidine derivatives could be isolated.

Tetrahedron Letters published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Recommanded Product: 5-Nitro-1H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Trifonov, R. E.’s team published research in Zhurnal Organicheskoi Khimii in 31 | CAS: 14544-45-7

Zhurnal Organicheskoi Khimii published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C6H8N2, Application of 5-Nitro-1H-1,2,3-triazole.

Trifonov, R. E. published the artcileBasicity of 1,2,3-triazole and some of its derivatives, Application of 5-Nitro-1H-1,2,3-triazole, the publication is Zhurnal Organicheskoi Khimii (1995), 31(6), 928-33, database is CAplus.

The following pKBH+ values were found: 1,2,3-triazole, -0.16; 4-nitro-1,2,3-triazole, -6.80; 1-phenyl-1,2,3-triazole, -0.11; 2-phenyl-1,2,3-triazole, -5.21; 4-phenyl-1,2,3-triazole, -5.36. The values for the phenyl-1,2,3-triazoles were discussed in terms of the structure of the conjugate acids and nπ-interactions.

Zhurnal Organicheskoi Khimii published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C6H8N2, Application of 5-Nitro-1H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics