Month: November 2022

Wu, Fanhong published the artcileSynthesis of anhydrous sodium salt of 5-mercapto-1,2,3-triazole, Recommanded Product: Sodium 1,2,3-triazole-5-thiolate, the publication is Zhongguo Yiyao Gongye Zazhi (2001), 32(2), 81-82, database is CAplus.

Sodium 1,2,3-triazole-3-sulfide was prepared by trans-acylating di-Et carbonate with hydrazine hydrate to obtain Et hydrazinoformate, condensing with chloroacetaldehyde to obtain Et 2-chloroethylenehydrazinoformate, cyclizing with SOCl₂ in dichloromethane in the presence of pyridine to obtain 5-chloro-1,2,3-thiadiazole, substituting with NH₃ in DMF, and rearranging in the presence of NaOH.

Zhongguo Yiyao Gongye Zazhi 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 C23H28N2O4, Recommanded Product: Sodium 1,2,3-triazole-5-thiolate.

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

Zhou, Yu published the artcileSynthesis and antifungal activity of 1-(1H-1, 2 ,4-triazole-1-yl)-2-(2, 4-difluorophenyl)-3-substituted-2-propanol, SDS of cas: 86386-77-8, the publication is Dier Junyi Daxue Xuebao (2011), 32(7), 754-758, database is CAplus.

To study the antifungal activity of triazole alcs. by introduction of Bu and triazole as side chains. A total of 16 compounds of 1-(1H-1, 2, 4-triazole-1-yl)-2-(2, 4-difluorophenyl)-3-substituted-2-propanol I(R = 2-F, 3-F, 4-F, 3-Cl, 4-Cl, 2-Br, 3-Br, 4-Br, 4-Me, 2-NO₂, 3-NO₂, 4-NO₂, 2-CN, 3-CN, 2,4-Cl₂, 2,6-CL₂) were synthesized and characterized by ¹HNMR and LC-MS. The in vitro antifungal activities of the compounds were determined by tests with 8 human pathogenic fungi. It was found that all the 16 title compounds exhibited antifungal activities, and compounds I(R = 3-F, 3-Cl, 4-Cl, 4-Me) had antifungal activities stronger than fluconazole, similar to itraconazole. Introduction of Bu and triazole side chain can confer antifungal activities to the compounds

Dier Junyi Daxue Xuebao 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 Al2H32O28S3, SDS of cas: 86386-77-8.

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

Wang, Bao-Gang published the artcileDesign synthesis and biological evaluation of 3-substituted triazole derivatives, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Chinese Chemical Letters (2011), 22(5), 519-522, database is CAplus.

Based on the active site of lanosterol 14α-demethylase of azole antifungal agents, sixteen 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(N-n-butyl-N-1-substituted-benzyl-4-methylene-1H-1,2,3-triazole)-2-propanols were designed, synthesized and evaluated as antifungal agents. Results of preliminary antifungal tests against eight human pathogenic fungi in vitro showed that some of the compounds exhibited excellent activities with broad spectrum.

Chinese Chemical Letters 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 C15H14N2, 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

Yan, Yongzheng published the artcileSynthesis and antifungal activity of novel triazole derivatives, SDS of cas: 86386-77-8, the publication is Archives of Pharmacal Research (2011), 34(10), 1649-1656, database is CAplus and MEDLINE.

A series of novel azoles, which are analogs of fluconazole, were designed and synthesized as potential antifungal agents by the click reaction. The click reaction approach toward the synthesis of novel 1,2,3-triazolyl linked triazole antifungal derivatives was achieved by Cu(I)-catalyzed 1,3-dipolar cycloaddition of 2-(2,4-difluorophenyl)-3-propargylamino-1-(1,2,4-triazol-1-yl)-2-propanol with substituted benzyl bromides and sodium azide. In addition, the target compounds tested can increase antifungal activity.

Archives of Pharmacal Research 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 C8H11NO, SDS of cas: 86386-77-8.

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

Chai, Xiaoyun published the artcileDesign, synthesis, and biological evaluation of novel 1, 2, 4-triazole derivatives as antifungal agent, Category: triazoles, the publication is Archives of Pharmacal Research (2012), 35(11), 1895-1901, database is CAplus and MEDLINE.

A series of novel 1,2,4-triazole derivatives have been designed and synthesized as potential antifungal agents. All compounds were characterized by ¹H-NMR, ¹³C-NMR, and LCMS. Their antifungal activities against seven human pathogenic fungi were evaluated in vitro by measuring the minimal inhibitory concentrations Most of the tested compounds were found to be more potent against Candida albicans than the control drug fluconazole.

Archives of Pharmacal Research 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, Category: triazoles.

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

Song, Yi-Hwa published the artcileBright and efficient, non-doped, phosphorescent organic red-light-emitting diodes, Application of 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is Advanced Functional Materials (2004), 14(12), 1221-1226, database is CAplus.

Ir^(III) metal complexes [(nazo)₂Ir(Fppz)] (1), [(nazo)₂Ir(Bppz)] (2), and [(nazo)₂Ir(Fptz)] (3) [(nazo)H = 4-Ph quinazoline, (Fppz)H = 3-trifluoromethyl-5-(2-pyridyl) pyrazole, (Bppz)H = 3-t-butyl-5-(2-pyridyl) pyrazole, and (Fptz)H = 3-trifluoromethyl-5-(2-pyridyl) triazole] were synthesized, among which the exact configuration of 1 was confirmed using single-crystal x-ray diffraction anal. These complexes exhibited bright red phosphorescence with relatively short lifetimes of 0.4-1.05 μs in both solution and the solid-state at room temperature Nondoped organic light-emitting diodes (OLEDs) were fabricated using complexes 1 and 2 in the absence of a host matrix. Saturated red electroluminescence was observed at λ_max = 626 nm (host-emitter complex 1) and 652 nm (host-emitter complex 2), which corresponds to coordinates (0.66,0.34) and (0.69,0.31), resp., on the 1931 Commission Internationale de l’Eclairage (CIE) chromaticity diagram. The nondoped devices employing complex 1 showed electroluminance ≤5780 cd m^-2, an external quantum efficiency of 5.5% at 8 V, and a c.d. of 20 mA cm^-2. The short phosphorescence lifetime of 1 in the solid state, coupled with its modest π-π stacking interactions, appear to be the determining factors for its unusual success as a nondoped host-emitter.

Advanced Functional Materials 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 Al2H32O28S3, Application of 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

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

Wu, Wei-feng published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-(N-cyclopropyl-N-benzyl-amino)-2-propanols, Safety of 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Yaoxue Shijian Zazhi (2009), 27(4), 266-269, database is CAplus.

Design and synthesis of novel triazole antifungal derivatives, e.g. I, based on the structure of fluconazole are reported. The anti-fungal activities were also evaluated against the eight common pathogenic fungi. Some of the title compounds exhibited activity against fungi to some extent.

Yaoxue Shijian Zazhi 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 C7H8BBrO3, Safety of 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

Zhu, Shuangfei published the artcileInitial Steps and Thermochemistry of Unimolecular Decomposition of Oxadiazole Energetic Materials: Quantum Chemistry Modeling, Name: 4-Nitro-2H-1,2,3-triazole, 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 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 C7H8FNO2S, Name: 4-Nitro-2H-1,2,3-triazole.

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

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

Chai, Xiaoyun published the artcileSynthesis and biological evaluation of triazole derivatives as potential antifungal agent, Computed Properties of 86386-77-8, the publication is Chemical Biology & Drug Design (2012), 80(3), 382-387, database is CAplus and MEDLINE.

A series of triazole antifungal agents with piperidine side chains was designed and synthesized. Results of preliminary antifungal tests against eight human pathogenic fungi in vitro showed that all the title compounds exhibited excellent activities with broad spectrum. Moreover, a mol. model for the binding between compound I and the active site of CACYP51 was provided based on the computational docking results. The side chain of the compound I is oriented into substrate access channel 2 (FG loop) and forms hydrophobic and van der waals interactions with surrounding hydrophobic residues. The Ph group of the side chain can interact with the Ph group of Phe380 through the formation of π-π face-to-edge interaction.

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, Computed Properties of 86386-77-8.

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