Day: November 23, 2022

Cheng, Yi-Ming published the artcileRational design of chelating phosphine functionalized Os^(II) emitters and fabrication of orange polymer light-emitting diodes using solution process, Application In Synthesis of 219508-27-7, the publication is Advanced Functional Materials (2008), 18(2), 183-194, database is CAplus.

A new series of charge neutral Os^II pyridyl azolate complexes with either bis(diphenylphosphino)methane (dppm) or cis-1,2-bis(diphenylphosphino)ethene (dppee) chelates were synthesized, and their structural, electrochem., photophys. properties and thermodn. relationship were established. For the dppm derivatives , the pyridyl azolate chromophores adopt an eclipse orientation with both azolate segments aligned trans to each other, and with the pyridyl groups resided the sites that are opposite to the phosphorus atoms. In sharp contrast, the reactions with dppee ligand gave rise to the formation of two structural isomers for all three kind of azole chromophores, with both azolate or neutral heterocycles (i.e., pyridyl or isoquinolinyl fragments) located at the mutual trans-disposition around the Os metal (denoted as series of a and b complexes). These chelating phosphines Os^(II) complexes show remarkably high thermal stability, among which and several exhibit nearly unitary phosphorescence yield in deaerated solution at RT. A polymer light-emitting device (PLED) prepared using 0.4 mol % of I as dopant in a blend of poly(vinylcarbazole) (PVK) and 30 wt % of 2-tert-butylphenyl-5-biphenyl-1,3,4-oxadiazole (PBD) exhibits yellow emission with brightness of 7208 cd m^-2, an external quantum efficiency of 10.4 % and luminous efficiency of 36.1 cd A^-1 at c.d. of 20 mA cm^-2. Upon changing to 1.6 mol % of II, the result showed even better brightness of 9212 cd m^-2, external quantum efficiency of 12.5 % and luminous efficiency of 46.1 cd A^-1 at 20 mA cm^-2, while the maximum external quantum efficiency of both devices reaches as high as 11.7 % and 13.3 %, resp. The high PL quantum efficiency, non-ionic nature, and short radiative lifetime are believed to be the determining factors for this unprecedented achievement.

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 C8H5F3N4, Application In Synthesis of 219508-27-7.

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

Beugelmans, Rene published the artcileRadical nucleophilic substitution in chains (S_RN1). Part 16. N-Alkylation of imidazole, benzimidazole, pyrazole, and triazole, Recommanded Product: 4H-1,2,4-Triazole, the publication is Tetrahedron Letters (1986), 27(51), 6209-12, database is CAplus.

The title amines behave as nucleophiles towards 4-O₂NC₆H₄CH₂Cl (I) or variously functionalized gem-halonitroalkanes in classical S_RN1 reactions. Thus, photostimulation of imidazole and I under basic conditions gives 72-95% N-benzyl derivative II.

Tetrahedron Letters 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, Recommanded Product: 4H-1,2,4-Triazole.

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

Miroshnichenko, E. A. published the artcileEnthalpy characteristics of nitro- and fluorine-nitro derivatives heterocyclic compounds, Product Details of C2H2N4O2, the publication is International Annual Conference of ICT (2003), 122/1-122/7, database is CAplus.

The energies of combustion and sublimations of fluorine-containing heterocyclic compounds are determined The energies of combustion are determined by the method of the “dry” bomb without addition of water. This has allowed us to simplify calculation of the correction on reduction of the condition of products of combustion to 1 atm. The method of microcalorimetry was used to measure enthalpies of sublimation. From these values, the enthalpies of formation in the standard condition and in the gas phase are determined

International Annual Conference of ICT 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

Ried, Walter published the artcileSynthesis of new, heterocyclic phanes from 1,2,3-triazolo-4,5-dicarbonitrile, Product Details of C4HN5, the publication is Chemiker-Zeitung (1989), 113(12), 384-5, database is CAplus.

Methylation of the title compound gave the 2-Me derivative I. Double cycloaddition of I with NH₄N₃ gave the corresponding 4,5-bis(5-tetrazolyl)-1,2,3-triazole, which underwent reaction with Br(CH₂)_nBr (n = 6-8, 10) to give sym. heterophanes II.

Chemiker-Zeitung 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, Product Details of C4HN5.

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

Harris, Nathan J. published the artcileTautomerism, Ionization, and Bond Dissociations of 5-Nitro-2,4-dihydro-3H-1,2,4-triazolone, Quality Control of 63598-71-0, the publication is Journal of the American Chemical Society (1996), 118(34), 8048-8055, database is CAplus.

Tautomerization, ionization, and bond dissociations of the insensitive high-energy explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazolone (I) were studied by MO SCF and MP2 theories and with the Becke3LYP hybrid d. functional using the 6-31+G^* and 6-311+G^** basis sets. Energies computed with these methods were compared against accurate G2 energies for the tautomerization, ionization, and bond dissociations of nitromethane. The Becke3LYP and MP2/6-31+G^* structures of the anion (II) compare well with the reported x-ray structure of the I diaminoguanidinium salt. The IR frequencies calculated with Becke3LYP compare well with those observed for crystalline I. Two enol tautomers with 1H-1,2,4-triazole skeletons are only 4 kcal/mol at MP2/6-311+G^** (and 9 kcal/mol at Becke3LYP/6-311+G^**) less stable than I, while the two aci-nitro tautomers are ca. 30 kcal/mol less stable than I. Comparisons of bond lengths, calculated proton chem. shifts, and magnetic susceptibility anisotropies show the enol tautomers are more aromatic than I, which accounts for their enhanced stabilities. II is also more aromatic than I, which partly explains its small proton affinity of 321 kcal/mol calculated at Becke3LYP/6-311+G^**+ZPE. The estimated N-H and C-NO₂ bond dissociation energies for I are, resp., 93 and 70 kcal/mol, and that for the N-OH bond of the aci-nitro tautomer III is 38 kcal/mol. Some possible processes in the initial stages of I decomposition are bimol. hydrogen atom transfers (in the condensed phase), C-NO₂ bond homolysis (at high temperatures or under conditions of shock or impact), and homolysis of the N-OH bond in the aci-nitro tautomers.

Journal of the American Chemical Society 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, Quality Control of 63598-71-0.

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

Schiedel, Anke C. published the artcileAntiproliferative effects of selective adenosine receptor agonists and antagonists on human lymphocytes: evidence for receptor-independent mechanisms, Safety of 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, the publication is Purinergic Signalling (2013), 9(3), 351-365, database is CAplus and MEDLINE.

The effects of standard adenosine receptor (AR) agonists and antagonists on the proliferation of human T lymphocytes, unstimulated and phytohemagglutinin-stimulated human peripheral blood lymphocytes (PBL), and Jurkat T cells were investigated. Real-time PCR measurements confirmed the presence of all four AR subtypes on the investigated cells, although at different expression levels. A_2A ARs were predominantly expressed in PBL and further upregulated upon stimulation, while malignant Jurkat T cells showed high expression levels of A₁, A_2A, and A_2B ARs. Cell proliferation was measured by [³H]-thymidine incorporation assays. Several ligands, including the subtype-selective agonists CPA (A₁), BAY60-6583 (A_2B), and IB-MECA (A₃), and the antagonists PSB-36 (A₁), MSX-2 (A_2A), and PSB-10 (A₃) significantly inhibited cell proliferation at micromolar concentrations, which were about three orders of magnitude higher than their AR affinities. In contrast, further investigated AR ligands, including the agonists NECA (nonselective) and CGS21680 (A_2A), and the antagonists preladenant (SCH-420814, A_2A), PSB-1115 (A_2B), and PSB-603 (A_2B) showed no or only minor effects on lymphocyte proliferation. The anti-proliferative effects of the AR agonists could not be blocked by the corresponding antagonists. The non-selective AR antagonist caffeine stimulated phytohemagglutinin-activated PBL with an EC₅₀ value of 104 μM. This is the first study to compare a complete set of commonly used AR ligands for all subtypes on lymphocyte proliferation. Our results strongly suggest that these compounds induce an inhibition of lymphocyte proliferation and cell death through AR-independent mechanisms.

Purinergic Signalling 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, Safety of 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.

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

Vereshchagin, L. I. published the artcileReaction of 4-nitro-1,2,3-triazole with alkylating agents and compounds with activated multiple bonds, Product Details of C2H2N4O2, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1986), 932-5, database is CAplus.

Alkylating 4-nitro-1,2,3-triazole with RX (R = Me, Et, Pr, Me₂CH, EtO₂CCH₂, PhCH₂, PhCOCH₂, X = iodo, Br, Cl) in acetone gave 20-94% yields of mixtures containing isomeric I and II. Addnl. obtained were I and II (R = CHMeOBu, CH₂CH₂CN, CH:CHCOPh) by addition of BuOCH:CH₂, CH₂:CHCN, and PhCOCCH to the nitrotriazole.

Khimiya Geterotsiklicheskikh Soedinenii 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 C12H25Br, Product Details of C2H2N4O2.

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

Kume, Masaharu published the artcileOrally active cephalosporins. III. Synthesis and structure-activity relationships of new 3-heterocyclicthiomethylthio-7β-[(Z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido]-3-cephem-4-carboxylic acids, Related Products of triazoles, the publication is Journal of Antibiotics (1993), 46(2), 316-30, database is CAplus and MEDLINE.

Title compounds I (R = triazolyl, tetrazolyl, thiadiazolyl, 2-pyridyl) were synthesized. Their antibacterial activity and oral absorbability were much influenced by the structure of R. I (R = 1,2,3-thiadiazol-5-yl, 1,3,4-thiadiazol-2-yl, 5-methyl-1,3,4-thiadiazol-2-yl) exhibited potent antibacterial activity against both Gram-pos. and Gram-neg. bacteria, whereas I (R = 2-methyl-1,2,3-triazol-4-yl, 2-pyridyl) showed better oral absorption in mice than the other cephalosporins prepared

Journal of Antibiotics 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, Related Products of triazoles.

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

Kume, Masaharu published the artcileOrally active cephalosporins. II. Synthesis and structure-activity relationships of new 7β-[(Z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido]cephalosporins with 1,2,3-triazole in C-3 side chain, Application In Synthesis of 59032-27-8, the publication is Journal of Antibiotics (1993), 46(1), 177-92, database is CAplus and MEDLINE.

The synthesis, antibacterial activity and oral absorbability of the title compounds I (X = CH₂S(CH₂)_n, S(CH₂)_m, SCH₂S(CH₂)_x, CH₂SCH₂S, S(CH₂)₂S, S(CH₂)₂O, S(CH₂)₂NH; n, m = 1-3, x = 0-2) are described. Their oral absorbability was influenced by the spacer length between C-3 of a cephem nucleus and C-4′ of 1,2,3-triazole. The SCH₂S structure was also found to contribute to their good oral absorption. The quant. relationship between the bioavailability and the spacer length of cephalosporins is discussed.

Journal of Antibiotics 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 In Synthesis of 59032-27-8.

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

Cassani, Stefano published the artcileDaphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity-activity modeling, Computed Properties of 53817-16-6, the publication is Journal of Hazardous Materials (2013), 50-60, database is CAplus and MEDLINE.

Due to their chem. properties synthetic triazoles and benzo-triazoles ((B)TAZs) are mainly distributed to the water compartments in the environment, and because of their wide use the potential effects on aquatic organisms are cause of concern. Non testing approaches like those based on quant. structure-activity relationships (QSARs) are valuable tools to maximize the information contained in existing exptl. data and predict missing information while minimizing animal testing. Externally validated QSAR models for the prediction of acute (B)TAZs toxicity in Daphnia magna and Oncorhynchus mykiss have been developed according to the principles for the validation of QSARs and their acceptability for regulatory purposes, proposed by the Organization for Economic Co-operation and Development (OECD). These models are based on theor. mol. descriptors, and are statistically robust, externally predictive and characterized by a verifiable structural applicability domain. They were applied to predict acute toxicity for >300 (B)TAZs without exptl. data, many of which are in the pre-registration list of the REACH regulation. A model based on quant. activity-activity relationships (QAAR) has been developed, which allows for interspecies extrapolation from daphnids to fish. The importance of QSAR/QAAR, especially when dealing with specific chem. classes like (B)TAZs, for screening and prioritization of pollutants under REACH, has been highlighted.

Journal of Hazardous Materials 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, Computed Properties of 53817-16-6.

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