Day: November 28, 2022

Yang, Zhen-Li published the artcileSynthesis and investigation of alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnics, Safety of 1H-1,2,3-Triazole-4,5-dicarbonitrile, the publication is CrystEngComm (2020), 22(22), 3768-3776, database is CAplus.

Research on novel energetic coordination polymers (ECPs) has become increasingly important for energetic materials; numerous ECPs have been reported and found to be potential energetic materials. In this study, 1,2,3-triazole-4,5-dicarboxylic acid was synthesized by an innovative synthetic route, and its complexes with alkali metals (Li, Na, K, Rb, Cs) were synthesized and comprehensively characterized by single-crystal X-ray diffraction, elemental anal., FT-IR and mass spectra. Most of the synthesized complexes exhibit excellent thermostability, with decomposition temperatures ranging from 312 to 334 °C, and they show good exptl. densities. Addnl., the non-isothermal kinetic parameters and thermodn. parameters were calculated for all prepared ECPs. The combustion flames of the five complexes are in a range of characteristic flame colors (from purple-red to blue). At the same time, all the synthesized CPs have remarkable insensitivity toward friction and impact (FS > 360 N, IS > 40 J), which makes them promising component candidates for chlorine-free “green” pyrotechnics.

CrystEngComm published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C7H5Br2F, Safety of 1H-1,2,3-Triazole-4,5-dicarbonitrile.

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

Cao, Wenli published the artcile4,5-Dicyano-1,2,3-Triazole-A Promising Precursor for a New Family of Energetic Compounds and Its Nitrogen-Rich Derivatives: Synthesis and Crystal Structures, Safety of 1H-1,2,3-Triazole-4,5-dicarbonitrile, the publication is Molecules (2021), 26(21), 6735, database is CAplus and MEDLINE.

The nitrogen-rich compounds and intermediates with structure of monocyclic, bicyclic, and fused rings based on 1,2,3-triazole were synthesized and prepared by using a promising precursor named 4,5-dicyano-1,2,3-triazole, which was obtained by the cyclization reaction of diaminomaleonitrile. Their structure and configurational integrity were assessed by Fourier transform-IR spectroscopy (FT-IR), mass spectrometry (MS), and elemental anal. (EA). Addnl., fourteen compounds were further confirmed by X-ray single crystal diffraction. Meanwhile, the phys. properties of four selected compounds including thermal stability, detonation parameters, and sensitivity were also estimated All these compounds could be considered to construct more abundant 1,2,3-triazole-based neutral energetic mols., salts, and complex compounds, which need to continue study in the future in the field of energetic materials.

Molecules published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C4HN5, Safety of 1H-1,2,3-Triazole-4,5-dicarbonitrile.

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

Golobokova, T. V. published the artcileSynthesis of N-(oxyran-2-ylmethyl)triazoles and -tetrazoles, SDS of cas: 84406-63-3, the publication is Russian Journal of Organic Chemistry (2015), 51(9), 1308-1312, database is CAplus.

The alkylation of 5-phenyl-1H-tetrazole and 4-nitro-2H-1,2,3-triazole with 1-chloro-2,3-epoxypropane and cycloaddition of 1-azido-3-chloropropan-2-ol to acetylenic dipolarophiles gave the corresponding N-(3-chloro-2-hydroxypropyl)azoles as intermediate products in the synthesis of N-(oxiran-2-ylmethyl)azoles.

Russian Journal of Organic Chemistry published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, SDS of cas: 84406-63-3.

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

Monn, James A. published the artcileSynthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu₂ Receptor Agonist, Application of Sodium 1,2,3-triazole-5-thiolate, the publication is Journal of Medicinal Chemistry (2015), 58(18), 7526-7548, database is CAplus and MEDLINE.

Identification of orthosteric mGlu_2/3 receptor agonists capable of discriminating between individual mGlu₂ and mGlu₃ subtypes has been highly challenging owing to the glutamate-site sequence homol. between these proteins. Herein we detail the preparation and characterization of a series of mols. related to (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylate (LY354740) bearing C4-thiotriazole substituents. On the basis of second messenger responses in cells expressing other recombinant human mGlu_2/3 subtypes, a number of high potency and efficacy mGlu₂ receptor agonists exhibiting low potency mGlu₃ partial agonist/antagonist activity were identified. From this, (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid (LY2812223, I) was further characterized. Cocrystn. of I with the amino terminal domains of hmGlu₂ and hmGlu₃ combined with site-directed mutation studies has clarified the underlying mol. basis of this unique pharmacol. Evaluation of I in a rat model responsive to mGlu₂ receptor activation coupled with a measure of central drug disposition provides evidence that this mol. engages and activates central mGlu₂ receptors in vivo.

Journal of Medicinal Chemistry published new progress about 59032-27-8. 59032-27-8 belongs to triazoles, auxiliary class Triazoles, name is Sodium 1,2,3-triazole-5-thiolate, and the molecular formula is C2H2N3NaS, Application of Sodium 1,2,3-triazole-5-thiolate.

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

Zhang, Li-Kang published the artcileCharacterization of major degradation products of an adenosine A_2A receptor antagonist under stressed conditions by LC-MS and FT tandem MS analysis, SDS of cas: 377727-87-2, the publication is Journal of Mass Spectrometry (2010), 45(2), 146-156, database is CAplus and MEDLINE.

Parkinson’s disease (PD) is a very serious neurol. disorder, and current methods of treatment fail to achieve long-term control. SCH 420814 is a potent, selective and orally active adenosine A_2A receptor antagonist discovered by Schering-Plough. Stability testing provides evidence of the quality of a bulk drug when exposed to the influence of environmental factors. Understanding the drug degradation profiles is critical to the safety and potency assessment of the drug candidate for clin. trials. As a result, identification of degradation products has taken an important role in drug development process. In this study, a rapid and sensitive method was developed for the structural determination of the degradation products of SCH 420814 formed under different forced conditions. The study utilizes a combination of liquid chromatog.-tandem-mass spectrometry (LC-MS/MS) and Fourier Transform (FT) MS techniques to obtain complementary information for structure elucidation of the unknowns. This combination approach has significant impact on degradation product identification. A total of ten degradation products of SCH 420814 were characterized using the developed method. Copyright © 2009 John Wiley & Sons, Ltd.

Journal of Mass Spectrometry published new progress about 377727-87-2. 377727-87-2 belongs to triazoles, auxiliary class GPCR/G Protein,Adenosine Receptor, name is 2-(Furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, and the molecular formula is C10H9IO4, SDS of cas: 377727-87-2.

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

Boulmene, Reda published the artcileMicroscopic investigations of site and functional selectivity of triazole for CO₂ capture and catalytic applications, Product Details of C2H3N3, the publication is Physical Chemistry Chemical Physics (2016), 18(43), 29709-29720, database is CAplus and MEDLINE.

Ab initio and DFT studies on CO₂ interacting with different tautomers and isomers of triazole (TZ) are carried out to understand the adsorption mechanism and their mutual preferential sites. The authors used post Hartree-Fock methods (MP2, CCSD(T), and CCSD(T)-F12) and various DFTs (PBE, PBE0, M05-2X, and M11) with and without considering the dispersion correction for comparison. The authors determined hence the equilibrium structures, vibrational frequencies and binding energies of TZ-CO₂ clusters and mapped their potential energy surfaces along the intermonomer coordinates. The most stable TZ-CO₂ clusters, some of them are already known, are not relevant for CO₂ capture in porous materials. The bonding between TZ and CO₂ is due to various kinds of noncovalent interactions such as π-stacking, acid-base pair electron donor-electron acceptor (EDA) interactions along with N-H···O and C-H···O H-bonds with CO₂. Anal. reveals the existence of site selectivity effects when CO₂ binds to TZ. These effects are related to the magnitude of the interaction potentials, in the order EDA (+N-H···O) > EDA (+C-H···O) > C^δ+···N=N > π-stacking > σ type N-H···O > C-H···O H-bonds. This is the first report on the importance of competition between EDA, π-stacking and σ-bonds for CO₂ capture and catalytic applications. Findings from this work may be used to give insights into the site specific CO₂ capture ability of porous materials such as metal organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs) or functionalized polymers. Finally, IR spectroscopy of CO₂ within the pores is neither a specific nor an efficient marker in probe-mol. experiments

Physical Chemistry Chemical Physics published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Product Details of C2H3N3.

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

Keshavarz, Mohammad Hossein published the artcileNovel correlation for predicting impact sensitivity of nitroheterocyclic energetic molecules, HPLC of Formula: 84406-63-3, the publication is Journal of Hazardous Materials (2007), 141(3), 803-807, database is CAplus and MEDLINE.

A correlation is introduced for predicting impact sensitivity of a variety nitroheterocyclic mol. types, such as nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines. This approach is based on elemental composition and 2 structural parameters of C_aH_bN_cO_d nitroheterocyclic energetic compounds The results for mentioned compounds are compared with complex neural networks computations which use compositional and topol. descriptors. Root mean square (rms) of deviation of different nitroheterocyclic mols. including nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines are 58 and 71 cm for new correlation and neural networks computations methods, resp.

Journal of Hazardous Materials published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, HPLC of Formula: 84406-63-3.

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

Kizhnyaev, V. N. published the artcileSynthesis of N-Vinyl-1,2,3-triazole Derivatives, SDS of cas: 84406-63-3, the publication is Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) (2002), 38(7), 1056-1059, database is CAplus.

Nitro-substituted N-vinyl-1,2,3-triazole derivatives were synthesized by the vinyl exchange reaction. The process was promoted by the catalytic system Hg(II) acetate-HO₂CCF₃. This system is universal, and it can be used in the synthesis of vinylazoles having two, three, and four N atoms in the ring.

Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, SDS of cas: 84406-63-3.

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

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 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