Triazoles

Hwang, Fu-Ming published the artcileIridium(III) Complexes with Orthometalated Quinoxaline Ligands: Subtle Tuning of Emission to the Saturated Red Color, Category: triazoles, the publication is Inorganic Chemistry (2005), 44(5), 1344-1353, database is CAplus and MEDLINE.

Rational design and syntheses of four Ir complexes bearing two substituted quinoxalines and an addnl. 5-(2-pyridyl)pyrazolate or -triazolate as the 3rd coordinating ligand are reported. Single-crystal x-ray diffraction studies of [(dpqx)₂Ir(fppz)] [1; dpqxH = 2,3-diphenylquinoxaline; fppzH = 3-(trifluoromethyl)-5-(2-pyridyl)pyrazole] reveal a distorted octahedral geometry, in which two dpqx ligands adopt an eclipsed configuration, for which the quinoxaline N atoms and the C atoms of orthometalated Ph groups are located at the mutual trans- and cis-positions, resp. The lowest absorption band for all complexes consists of a mixture of heavy-atom Ir(III)-enhanced ³MLCT and ³ππ^* transitions, and the phosphorescent peak wavelength can be fine-tuned to cover the spectral range of 622-649 nm with high quantum efficiencies. The cyclic voltammetry was measured, showing a reversible, metal-centered oxidation with potentials at 0.76-1.03 V, as well as two reversible reduction waves with potentials ranging from -1.61 to -2.06 V, attributed to the sequential addition of two electrons to the more electron-accepting heterocyclic portion of two distinctive cyclometalated CN̂ ligands. Complex 1 was used as a representative example to fabricate red-emitting PLEDs by blending it into a PVK-PBD polymer mixture The devices exhibited the characteristic emission profile of 1 with peak maxima located at 640 nm. The maximum external quantum efficiency was 3.15% ph/el with a brightness of 1751 cd/m² at a c.d. of 67.4 mA/cm², and the maximum brightness of 7750 cd/m² was achieved at the applied voltage of 21 V and with CIE coordinates of (0.64, 0.31).

Inorganic Chemistry published new progress about 219508-27-7. 219508-27-7 belongs to triazoles, auxiliary class Trifluoromethylated Building Blocks, name is 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, and the molecular formula is C8H5F3N4, Category: triazoles.

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

Sheng, Chunquan published the artcileDesign and synthesis of novel triazole antifungal derivatives by structure-based bioisosterism, Computed Properties of 86386-77-8, the publication is European Journal of Medicinal Chemistry (2011), 46(11), 5276-5282, database is CAplus and MEDLINE.

The incidence of life-threatening fungal infections is increasing dramatically. In an attempt to develop novel antifungal agents, our previously synthesized phenoxyalkylpiperazine triazole derivatives were used as lead structures for further optimization. By means of structure-based bioisosterism, triazolone was used as a new bioisostere of oxygen atom. This type of bioisosteric replacement can improve the water solubility without loss of hydrogen-bonding interaction with the target enzyme. A series of triazolone-containing triazoles were rationally designed and synthesized. As compared with fluconazole, several compounds showed higher antifungal activity with broader spectrum, suggesting their potential for further evaluations.

European Journal of Medicinal Chemistry published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C9H8BNO2, Computed Properties of 86386-77-8.

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

Snyder, Christopher J. published the artcileSimple and Efficient Synthesis of Explosive Cocrystals containing 3,5-Dimethylpyrazol-1-yl-substituted-1,2,4,5-tetrazines, HPLC of Formula: 84406-63-3, the publication is Chemistry – A European Journal (2017), 23(65), 16466-16471, database is CAplus and MEDLINE.

The reaction of 3,4-dinitropyrazole, 5-nitrotetrazole, or 4-nitro-1,2,3-triazole with 1,2,4,5-tetrazines substituted with 3,5-dimethylpyrazolyl (dmp) groups results in energetic cocrystals after 1 min of reflux and cooling to room temperature in yields of 89-92 %. Hydrogen-bonding between the dmp group to the N-H of the energetic heterocycles are the predominant interaction that stabilizes the new cocrystals. Each cocrystal packs in a different lattice structure and the cocrystals with sheet-like and herring-bone crystal packing orientations are less sensitive than the cocrystal with the interlocked structure. Electrostatic potential mapping helps rationalize why dmp-substituted tetrazines readily form cocrystals, whereas more electron-deficient pyrazolyl tetrazines do not. The calculated energetic performance of the new cocrystals approaches that of 2,4,6-trinitrotoluene (TNT) and importantly, these materials will aid in the rational design of new cocryst. energetic materials.

Chemistry – A European Journal 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 C13H19BO4S, HPLC of Formula: 84406-63-3.

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

Lin, Cheng-Huei published the artcileIridium(III) Complexes of a Dicyclometalated Phosphite Tripod Ligand: Strategy to Achieve Blue Phosphorescence Without Fluorine Substituents and Fabrication of OLEDs, SDS of cas: 219508-27-7, the publication is Angewandte Chemie, International Edition (2011), 50(14), 3182-3186, S3182/1-S3182/20, database is CAplus and MEDLINE.

The authors report a 1-pot synthetic route to obtain new blue phosphors without F substituents. The mols. were assembled using dicyclometalated phosphite (or phosphonite) tripod, coupled with 2-pyridyl triazolate chromophore and a monodentate phosphorous donor. Exploiting one of the products as a paradigm, the outstanding performance includes: peak efficiencies of 11.0% , 22.3 cd A-¹, and 16.7 lm W^-1, together with a turn-on voltage of 4.1 V and blue chromaticity CIE_x,y = 0.179, 0.286 recorded at 100 cd m-2. The terdentate PC̅₂ not only stabilizes the phosphors, its saturated nature also simplifies the color tuning strategy, as evidence by the outstanding performance of another product toward better maximum luminescence and blue chromaticity with slight sacrifice on the peak efficiency. The results thus reveal a great potential of both PC̅₂ and pyridyl azolate chelates in the preparation of blue-emitting phosphors.

Angewandte Chemie, International Edition published new progress about 219508-27-7. 219508-27-7 belongs to triazoles, auxiliary class Trifluoromethylated Building Blocks, name is 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, and the molecular formula is C8H5F3N4, SDS of cas: 219508-27-7.

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

Yu, Shichong published the artcileSynthesis and antifungal activity of the novel triazole compounds, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is MedChemComm (2013), 4(4), 704-708, database is CAplus.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols which are analogs of fluconazole, were designed and synthesized for the first time by the click reaction on the basis of computational docking experiments to the active site of the cytochrome P 450 14α-demethylase (CYP51). Their structures were characterized by ¹H NMR, ¹³C NMR and HRMS. The in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi.

MedChemComm published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C8H9NOS, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate.

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

Yu, Shichong published the artcileSynthesis and antifungal evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase, Name: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is European Journal of Medicinal Chemistry (2010), 45(10), 4435-4445, database is CAplus and MEDLINE.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols, which are analogs of fluconazole, have been designed and synthesized as the potential antifungal agents by the click reaction. Click reaction approach toward the synthesis of two sets of novel 1,2,3-triazolyl linked triazole antifungal derivatives was achieved by Cu(I)-catalyzed 1,3-dipolar cycloaddition of propargylated intermediates with substituted benzyl or alkyl azides. The 1,2,3-triazolyl group was inserted into the side chain of the target mol. which can increase the antifungal activity of compounds

European Journal of Medicinal Chemistry published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C3H6O2, Name: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate.

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

Guan, Zhongjun published the artcileSynthesis, molecular docking, and biological evaluation of novel triazole derivatives as antifungal agents, Quality Control of 86386-77-8, the publication is Chemical Biology & Drug Design (2010), 76(6), 496-504, database is CAplus and MEDLINE.

Twenty-eight novel triazoles I (R = 2-FC₆H₄, 4-BrC₆H₄, 3-BrC₆H₄, etc.) and II [4-(MeOSO₂)C₆H₄, 4-(EtOSO₂)C₆H₄, 4-(i-PrOSO₂)C₆H₄, etc.] have been synthesized for structure-activity relationship studies as antifungal agents. The compounds were designed based on the structure of fluconazole and mol. modeling of the active site of the cytochrome P 450 14α-demethylase (CYP51). All of them are reported for the first time. Their chem. structures are characterized by ¹H NMR, ¹³C NMR, LC-MS, and elemental anal. The antifungal activities have been evaluated in vitro by measuring the minimal inhibitory concentrations Compounds I exhibited higher activity against nearly all fungi tested except Aspergillus fumigatus than fluconazole. The computational mol. docking experiments indicated that the inhibition of CYP51 involves a coordination bond with iron of the heme group, a hydrophilic H-bonding region, a hydrophobic region, and a narrow hydrophobic binding cleft.

Chemical Biology & Drug Design published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Quality Control of 86386-77-8.

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

Gan, Zhi-yong published the artcileSynthesis and characterization of hexaalkylguanidinium TADC energetic ionic liquids, HPLC of Formula: 53817-16-6, the publication is Huozhayao Xuebao (2012), 35(1), 19-22, 31, database is CAplus.

Four kinds of hexaalkylguanidinium 4, 5-dicyano-1, 2, 3-triazole ([C_n-guan][TADC], n=3, 4, 5, 6) energetic ionic liquids were synthesized by an ion exchange technique. Their structures were identified by IR and ¹HNMR. Their d., solubility, thermal properties were studied. Their structures were identified by IR, ¹HNMR, solubility were tested in common organic solvents, d. were measured by surface interfacial tension meter, thermal properties were studied through TG, DSC method. The results showed that hexaalkylguanidinium TADC ionic liquids had good solubility in most of organic solvents. The maximum decomposition temperature was about 370°C, revealing that [C_3-6-guan][TADC] had good thermal stability. In the second heating process of DSC, ([C_n-guan][TADC], n=3, 4, 5) experienced four kinds of phases, glassy, supercooled state, crystalline solid and liquid

Huozhayao Xuebao 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, HPLC of Formula: 53817-16-6.

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

Franco, Mauricio P. published the artcileEvaluation of N-binding through N1, N2 or N3 of 4-R-1,2,3-Triazolate to [CuCO]⁺ Complexes, Product Details of C2H2N4O2, the publication is ChemistrySelect (2022), 7(10), e202104006, database is CAplus.

We computationally investigated eight 4-R-1,2,3-triazolates and their three possible N-binding modes. Optimization of the pre-ligands to verify NPA charges were done with M06-2X/def2-TZVPP. The complexes with [CuCO]⁺ were optimized with M06 L/def2-TZVPP and the electronic energies were improved with DLPNO-CCSD(T)/cc-pVTZ. Our calculations with pre-ligands indicated the NPA charge of N2 as less neg. than N1 and N3 by at least ∼0.100 e. Taking into account the complexes energies and vibrations, coordination via N2 is the most stable among all three nitrogens in gas-phase by at least, 8 kJ/mol and the vibrational anal. of the ν_CO indicates linkage isomer N2 as the best electron d. donor among the three linkage isomers. The results exhibit a fine-tuning of ligand donation properties that can be achieved by selecting different R groups in 4-R-1,2,3-triazoles.

ChemistrySelect 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, Product Details of C2H2N4O2.

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

Chen, Jing-Lin published the artcileSynthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2′-Pyridyl)-1,2,4-triazole Chelating Ligands, Computed Properties of 219508-27-7, the publication is Inorganic Chemistry (2013), 52(17), 9727-9740, database is CAplus and MEDLINE.

Mononuclear Cu(I) complexes (1–9) with functionalized 3-(2′-pyridyl)-1,2,4-triazole chelating ligands, as well as the halide and/or phosphine ancillary ligands, were synthesized. Complexes 1–9 were fully characterized by elemental anal., NMR spectroscopy, mass spectroscopy, electronic absorption spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and x-ray crystallog. (1–8). They adopt a distorted tetrahedral configuration, and are considerably air-stable in solid state and in solution All these Cu(I) complexes display a comparatively weak low-energy absorption in CH₂Cl₂ solution, assigned to charge-transfer transitions with appreciable MLCT character, as supported by TD-DFT studies. Cu(I) halide complexes 1–4 each shows bright solid-state emission at room temperature, though they are nonemissive in fluid solutions, in which emission markedly depends on the halide and the substituent on the 2-pyridyl ring. Complexes 5–9 bearing 2-pyridyl functionalized 1,2,4-triazole and phosphine exhibit good photoluminescence properties in solution and solid states at ambient temperature, which are well-modulated via the alteration of the auxiliary phosphine ligand and the structural modification of 3-(2′-pyridyl)-1,2,4-triazole. Cationic complex 6 and neutral derivative 7 can readily be interconverted through the ring inversion of the 1,2,4-triazolyl regulated by the NH ↔ N^– transformation.

Inorganic Chemistry published new progress about 219508-27-7. 219508-27-7 belongs to triazoles, auxiliary class Trifluoromethylated Building Blocks, name is 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, and the molecular formula is C8H5F3N4, Computed Properties of 219508-27-7.

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