Day: November 23, 2022

Han, Xun published the artcileElectrostatic balance parameter mediated energy functions-toward stability and performance of explosives, Category: triazoles, the publication is Propellants, Explosives, Pyrotechnics (2021), 46(8), 1313-1323, database is CAplus.

It is a main challenge to achieve a fine balance between high energy d. and good mol. stability in energetic material research. The electrostatic balance parameter (ν), a universal parameter, that describes the coordination relationship between energy and stability of explosives may achieve this purpose. The strain energy, resonance energy, and large π-π separation energy were calculated from the perspective of mol. transformability to evaluate the stability of explosive mols., and ν was used to mediate the three parameters. The linear fitting results show that ν is highly correlated with these parameters, and a higher ν means better stability and lower mol. energy. The electrostatic balance parameter ν was also employed to mediate a high-energy explosive mol. (CL-20) and a high-stability mol. (LLM-105) and a possible structure for a supramol. explosive was screened from 6 kinds of supramols., which provides a feasible idea for the design of new explosives with low sensitivity and high energy. There is a strong linear correlation between electrostatic balance parameter (ν) and explosive energy (detonation velocity and heat of formation) and stability (strain energy, resonance energy, large π-π separation energy, and impact sensitivity). By adjusting the ν, it is possible to mediate the mol. energy and stability of explosives. The supramol. explosive is composed of LLM-105 and CL-20 explosive mols., and the possible structure of a kind of supramol. explosive is screened out by the value of ν.

Propellants, Explosives, Pyrotechnics 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, Category: triazoles.

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

Neustadt, Bernard R. published the artcilePotent and selective adenosine A_2A receptor antagonists: 1,2,4-Triazolo[1,5-c]pyrimidines, Product Details of C25H29N9O3, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(3), 967-971, database is CAplus and MEDLINE.

Antagonism of the adenosine A_2a receptor offers great promise in the treatment of Parkinson’s disease. In the course of exploring pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine A_2A antagonists, which led to clin. candidate SCH 420814, we prepared 1,2,4-triazolo[1,5-c]pyrimidines with potent and selective (vs A₁) A_2a antagonist activity, including oral activity in the rat haloperidol-induced catalepsy model. Structure-activity relationships and plasma levels are described for this series.

Bioorganic & Medicinal Chemistry Letters 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 C25H29N9O3, Product Details of C25H29N9O3.

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

Ma, Haiyang published the artcileSky-blue iridium complexes with pyrimidine ligands for highly efficient phosphorescent organic light-emitting diodes, Product Details of C8H5F3N4, the publication is New Journal of Chemistry (2020), 44(21), 8743-8750, database is CAplus.

Blue iridium phosphors are always precious and desirable for both fundamental research and industrial applications in organic light-emitting diodes (OLEDs). Three heteroleptic cyclometalated iridium(III) complexes,I,II, III (Ir1, Ir2 and Ir3,resp. ) incorporating 2-(3,5-bis(trifluoromethyl)phenyl)-pyrimidine (tfmphpm) or 2-(2,4-difluorophenyl)-pyrimidine (dfppm) as the main ligand, and 2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridine (fppz) or 2-(5-(4-(trifluoromethyl)phenyl)-2H-1,2,4-triazol-3-yl)pyridine (Htaz) as the ancillary ligand, were developed for application in OLEDs. Owing to the introduction of the strong-field CF₃-containing ancillary ligand and the incorporation of electron-withdrawing F or CF₃ groups on the HOMO-lying C-related aromatic rings of the CN̂ cyclometalating ligands, the phosphorescence of these Ir(III) complexes peaked at 457-459 nm. In comparison with the well-known com. sky-blue iridium complex FIrpic (bis(4′,6′-difluorophenylpyridinato) iridium(III) picolinate, 475 nm), the phosphorescence of these complexes is hypsochromically shifted by 16-18 nm, more closely approaching standard blue light. They have high phosphorescence quantum yields in solution The phosphorescent OLEDs employing these complexes as doped emitters display impressive performance. In particular, the PhOLED based on Ir3 achieves an outstanding maximum external quantum efficiency of 21.23% with Commission Internationale de l′Eclairage (CIE) coordinates of (0.15, 0.26), which is about 27% higher than that of the control device using FIrpic as a dopant (16.63%).

New Journal of 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, Product Details of C8H5F3N4.

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

Liang, Shuang published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-substituted acyl piperazin-1-yl)-2-propanols, Quality Control of 86386-77-8, the publication is Journal of Medical Colleges of PLA (2004), 19(3), 142-145, database is CAplus.

The objective was to study the effect of fluconazole derivatives from a side chain containing 4-substituted acyl piperazine-1-yl on antifungal activity. Fourteen title compounds, e.g., I, were synthesized and confirmed by the elementary anal., ¹HNMR and IR spectra. Five deep fungal strains and 3 shallow fungal strains were chosen as the exptl. strains. Min. inhibitory concentrations(MICs) of all title compounds were determined by the method recommended by the National Committee for Clin. Laboratory Standards (NCCLS) using RPMI 1640 test medium. Among the 14 title compounds, 12 were first reported. The results of preliminary antifungal test showed that all the title compounds exhibited potent antifungal activities to a certain extent. The activity of 4 compounds were more than 4 times as high as that of fluconazole and equal to that of ketoconazole against Candida albicans in vitro (MIC₈₀ value ≤ 0.125 μg/mL). Introduction of a side chain containing 4-substituted acyl piperazine-1-yl into the main part of fluconazole has important influence on antifungal activities of title compounds

Journal of Medical Colleges of PLA 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

Sun, Qingyan published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazolyl)-2-(2′,4′-difluorophenyl)-3-substituted with side chain containing sulfur atom-2-propanols, Category: triazoles, the publication is Dier Junyi Daxue Xuebao (2001), 22(9), 871-874, database is CAplus.

Fifteen title compounds 3-R-1-(1H-1,2,4-triazolyl)-2-(2,4- difluorophenyl)-2-propanol (I; R = side chain containing sulfur) were synthesized and characterized by elemental anal., ¹HNMR, and IR spectra. MICs of all title compounds were determined by the method recommended by the National committee of clin. laboratory standards (NCCLS) using RPMI1640 test medium. The results of preliminary antifungal test showed that all title compounds exhibited potent antifungal activities to a certain extent.

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 C8H11NO, Category: triazoles.

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

Sun, Qingyan published the artcileSynthesis and antifungal activity of triazole derivatives, SDS of cas: 86386-77-8, the publication is Zhongguo Yaowu Huaxue Zazhi (2004), 14(1), 14-18, database is CAplus.

The effect of the triazole derivatives from introducing a side chain containing nitrogen on the antifungal activity was studied. Twenty-two title compounds were synthesized and confirmed by elementary anal., ¹H-NMR and IR spectra. MIC₈₀ of all the title compounds were determined using the RPM1640 test medium. The results of the preliminary antifungal test showed that all the title compounds exhibited potent antifungal activities. One compound showed equal or more potent activities when compared with ketoconazole and was markedly superior to fluconazole. Proper lipid/water distribution coefficient might be important to the antifungal activities of the title compounds in vitro.

Zhongguo Yaowu Huaxue 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 C4H4N2O2, SDS of cas: 86386-77-8.

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

Liang, Shuang published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[(4-substituted)-1-piperazinyl]-2-propanols, Application of 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Zhongguo Yaowu Huaxue Zazhi (2004), 14(2), 71-75, database is CAplus.

The effect of the side chain in (4-substituted)-1-piperazinyl on the antifungal activity of fluconazole compounds was studied. Thirteen title compounds were synthesized and confirmed by the elementary anal., ¹H-NMR and IR spectra. The MICs of all the title compounds were determined by the method recommended by the National Committee for Clin. Laboratory Standards (NCCLS) using the RPMI1640 test medium. The results of the preliminary antifungal test showed that all the title compounds exhibited potent antifungal activities. The activities of the eight compounds thus prepared were more than 4 times as high as that of fluconazole and equal to that of ketoconazole against Candida albicans in vitro. The lipid/water distribution coefficient and stereochem. have important influence on the antifungal activities of the title compounds

Zhongguo Yaowu Huaxue 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 C12H13F2N3O4S, Application 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

He, Qiuqin published the artcileSynthesis and antifungal activities of 1-(1H-1,2,4-triazol-1-y1)-2-(2,4-difluorophenyl)-3-[(4-substituted)-piperazin-1-y1]-2-propanol, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Zhongguo Yaowu Huaxue Zazhi (2007), 17(1), 8-12, database is CAplus.

According to the structure of fluconazole, eleven target compounds were designed and synthesized. All of them were confirmed by H-NMR or IR spectra, resp. The MIC₈₀ of all the target compounds were determined by the method recommended by the national committee for clin. laboratory standards (NCCLS) using the RPMI 1640 test medium. Eleven target compounds were firstly reported. The results of the preliminary antifungal test showed that all the target compounds exhibited potent antifungal activities to a certain extent. Most of the target compounds showed higher antifungal activities than that of fluconazole. Especially, compound I showed strong antifungal activity with broad antifungal spectrum and was chosen for further study.

Zhongguo Yaowu Huaxue 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 C12H13F2N3O4S, 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

He, Qiu Qin published the artcileDesign, synthesis of novel antifungal triazole derivatives with high activities against Aspergillus fumigatus, SDS of cas: 86386-77-8, the publication is Chinese Chemical Letters (2007), 18(4), 421-423, database is CAplus.

Based on the active site of Aspergillus fumigatus lanosterol 14α-demethylase (AF-CYP51), novel triazole compounds I (R = aryl) were designed. Their chem. synthesis and the antifungal activities were reported. The results showed that all the target compounds exhibited excellent activities with broad spectrum, in which I (R = 4-FC₆H₄, 4-H₂NCOC₆H₄, pyridin-4-yl) showed comparable activities against A. fumigatus to the control drug Itraconazole.

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 C12H13F2N3O4S, SDS of cas: 86386-77-8.

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

Bilton, J. A. published the artcilePhthalocyanines. X. Experiments in the pyrrole, isoöxazole, pyridazine, furan and triazole series, Category: triazoles, the publication is Journal of the Chemical Society (1937), 922-9, database is CAplus.

The general result of this series was that no phthaloeyanine-like pigment was obtained in any of the 5 series investigated. In some cases this appears to be a genuine neg. and in agreement with theory; in others the result is inconclusive, as suitably close intermediates could not be prepared Di-Et 2,5.-dimethylpyrrole-3,4-dicarboxylic acid does not react with NH₃ to form the diamide; it also could not be prepared through the acid chloride. The Na compound of NCCH₂Ac did not react with I or α-bromocyanoacetone (from NCCH₂Ac and Br, b₁₂ 43° to give diacetylsuccinonitrile, neither could the pyrrole be obtained by direct condensation of these compounds with NH₃. Me 1,2-diacetylsuccinate, b₂₀, 120°, m. 113.5°; aqueous NH₄OH gave only a brown oil. Et 3-formyl-2,5-dimethylpyrrole-4-carboxylate and its oxime were prepared from Et 2,5-dimethylpyrrole-3-carboxylate; dehydration of the oxime yields Et 3-cyano-2,5-dimethylpyrrole-4-carboxylate, m. 152°, which does not yield an amide on heating under pressure with NH₃-MeOH or aqueous NH₄OH. Hydrolysis gives the free acid, m. 288°(decomposition), which, on heating at 200° and 13 mm., gives 73% of 3-cyano-2,5-dimethylpyrrole, m. 89°. Through the imine-HCl this was converted into the 4-formyl derivative, yellow, m. 207° (81% yield) (oxime, m. 223°); Ac₂O and AcONa convert this into 3,4-dicyano-2,5-dimethylpyrrole, m. 239° (89% yield); this yielded no phthalocyanine-like pigment when treated with metallic reagents under the usual conditions. 4-Carbethoxy-2,3-dimethylpyrrole-5-aldoxime on refluxing with Ac₂O and AcONa gives 81% of Et 5-cyano-2,3-dimethylpyrrole-4-carboxylate, m. 180°; the free acid, m. 242°, decomposes 250°, results in 94% yield and could not be decarboxylated to the corresponding mononitrile. 2,3-Dimethylpyrrole was converted into the 5-formyl derivative and the 5-aldoxime, dehydrated to the 5-CN derivative, m. 121.5°, in 66% yield; this does not react with HCN and HCl, nor does the 5-aldoxime or 5-aldehyde. 5-Methylisoöxazole-3,4-dicarboxamide, m. 216°, results in 67% yield from the Et ester and NH₄OH; P₂O₅ gives 70% of 3,4-dicyano-5-methylisoöxazole, b₁₂ 115°, b₇₆₀ 245° (some decomposition), m. 32°; about 3 hrs. heating at 115-20° and 5 mm. were necessary to form a pure product; HCl in absolute EtOH gives a mixture of the above Et ester and 3(or 4)-cyano-5-methylisoöxazole-3(or 4)-carboxamide, m. 225°; this also resulted with 10% KOH. The dinitrile did not form a phthalocyanine-like pigment. 3,6-Dimethylpyridazine-4,5-dicarboxamide, m. 240°, results in theoretical yield from the ester and NH₄OH; sublimation at 240° and 10 mm. gives 44% of the imide, m. 240° (decomposition); the dinitrile could not be prepared and the imide did not yield a Cu pigment of the phthalocyanine type. Refluxing 2,5-dimethylfuran-3,4-dicarboxamide with Ac₂O for 6 hrs: gives 4-cyano-2,5-dimethylfuran-3-carboxylic acid, m. 174°. Me 5-cyano-3-methylfuran-4-carboxylate, m. 49° (in 26% yield from the Ag salt and MeI), is hydrolyzed by concentrated NH₄OH and is unchanged by EtOH-NH₃ at 50° for 2 days. Dicyanotriazole does not yield pigments with metallic reagents; it is soluble in aqueous NaHCO₃ with effervescence and a dilute aqueous solution dissolves Zn with evolution of H; the Ag salt, precipitated with AgNO₃, is not dissolved by cautious addition of dilute HNO₃; warming the Ag salt with excess HNO₃ gives the free dinitrile; MeOH does not give a Me ether.

Journal of the Chemical Society 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, Category: triazoles.

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