Month: December 2022

Senapati, Rabinarayan published the artcileA Versatile VMPO Catalyst Prepared In Situ for Oxidative Ammonolysis of Isomeric Picolines and Xylenes, Recommanded Product: Picolinonitrile, the main research area is picoline xylene oxidative ammonolysis vanadomolybdophosphoric acid supported titania catalyst.

The V2O5-MoO3-P2O5 (VMPO) catalyst has been prepared in situ by thermal decomposition of vanado-molybdophosphoric acid (PMoV) on TiO2 support at 475°C. The TiO2 supported VMPO catalysts are characterized by FT-IR, XRD, BET surface area, NH3-TPD, and H2-TPR. Morphol. of the catalyst has been studied by TEM. The accumulated data indicate decomposition of PMoV and presence of phosphate and pyrophosphate phases of molybdenum and vanadium after calcination. TPD and TPR studies exhibit the moderate acidity and presence of V4+ in the material, resp. The VMPO catalyst has been used for ammoxidation of six different compounds including three isomeric picolines and three isomeric xylenes to the corresponding nitriles with the yield of 90-96%.

Russian Journal of General Chemistry published new progress about Acidity. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Recommanded Product: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Procopiou, Panayiotis A. published the artcileSynthesis and Structure-Activity Relationships of Indazole Arylsulfonamides as Allosteric CC-Chemokine Receptor 4 (CCR4) Antagonists, Computed Properties of 221202-34-2, the main research area is indazole arylsulfonamide allosteric CC chemokine receptor 4 antagonist preparation; structure activity relationship solubility clearance human CCR4 antagonist; crystal mol structure indazole thiophenesulfonamide.

A series of indazole arylsulfonamides were synthesized and examined as human CCR4 antagonists. Methoxy- or hydroxyl- containing groups were the more potent indazole C4 substituents. Only small groups were tolerated at C5, C6, or C7, with the C6 analogs being preferred. The most potent N3-substituent was 5-chlorothiophene-2-sulfonamide. N1 meta-substituted benzyl groups possessing an α-amino-3-[(methylamino)acyl]- group were the most potent N1-substituents. Strongly basic amino groups had low oral absorption in vivo. Less basic analogs, such as morpholines, had good oral absorption; however, they also had high clearance. The most potent compound with high absorption in two species was analog I (GSK2239633A), which was selected for further development. Aryl sulfonamide antagonists bind to CCR4 at an intracellular allosteric site denoted site II. X-ray diffraction studies on two indazole sulfonamide fragments suggested the presence of an important intramol. interaction in the active conformation.

Journal of Medicinal Chemistry published new progress about Acidity. 221202-34-2 belongs to class nitriles-buliding-blocks, name is 2,3-Difluoro-6-methoxybenzonitrile, and the molecular formula is C8H5F2NO, Computed Properties of 221202-34-2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kanaoka, Yuichi published the artcilePolyphosphate ester as a synthetic agent. XII. Convenient synthesis of nitriles by the dehydration of amides with PPE, Application of 2,3-Dimethoxybenzonitrile, the main research area is polyphosphate ester synthesis benzonitrile; benzonitrile polyphosphate ester synthesis; naphthonitrile polyphosphate ester synthesis; furonitrile polyphosphate ester synthesis; nicotinonitrile polyphosphate ester synthesis; cyano cyclohexane polyphosphate ester synthesis; cyclopentane cyano polyphosphate ester synthesis; nitrile benzo polyphosphate ester synthesis.

Nitriles were prepared in improved yields by the dehydration of amides with PPE, prepared from P2O5 and Et2O. Thus, a solution of BzNH2 and PPE in CHCl3 was refluxed 2 hr to give 87% PhCN. m-Nitrobenzonitrile, p-nitrobenzonitrile, o-chlorobenzonitrile, m-hydroxybenzonitrile, p-hydroxybenzonitrile, m-methoxybenzonitrile, p-methoxybenzonitrile, 2,3-dimethoxybenzonitrile, β-naphthonitrile, cyclopentanecarbonitrile, cyclohexanecarbonitrile, phenylacetonitrile, 2-furonitrile, nicotinonitrile, and isonicoinonitrile, were similarly prepared, but 2-furancarboxamide resisted dehydration. The primary amides were prepared by ammonolysis of the corresponding acid chlorides.

Chemical & Pharmaceutical Bulletin published new progress about Nitriles. 5653-62-3 belongs to class nitriles-buliding-blocks, name is 2,3-Dimethoxybenzonitrile, and the molecular formula is C9H9NO2, Application of 2,3-Dimethoxybenzonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Feskov, Serguei V. published the artcileMagnetic field effect on ion pair dynamics upon bimolecular photoinduced electron transfer in solution, Formula: C8H4N2, the main research area is magnetic field ion pair dynamics bimol photoinduced electron transfer.

The dynamics of the ion pairs produced upon fluorescence quenching of the electron donor 9,10-dimethylanthracene (DMeA) by phthalonitrile were studied in MeCN and THF using transient absorption spectroscopy. Charge recombination to both the neutral ground state and the triplet excited state of DMeA is observed in both solvents. The relative efficiency of the triplet recombination pathway decreases substantially in the presence of an external magnetic field. These results were analyzed theor. within the differential encounter theory, with the spin conversion of the geminate ion pairs described as a coherent process driven by the hyperfine interaction. The early temporal evolution of ion pair and triplet state populations with and without magnetic field could be well reproduced in MeCN, but not in THF where fluorescence quenching involves the formation of an exciplex. A description of the spin conversion in terms of rates, i.e., incoherent spin transitions, leads to an overestimation of the magnetic field effect. (c) 2019 American Institute of Physics.

Journal of Chemical Physics published new progress about Exciplex. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Formula: C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Chattopadhyay, Purnesh published the artcilePolyol-Assisted Synthesis of Copper Particles, Formula: C8H4N2, the main research area is polyol assisted copper particle.

Copper colloids typically demonstrate excellent catalytic and elec. properties, but their synthetic approaches lag behind their more expensive cousins. In this manuscript we investigate the synthesis of Cu colloids using a polyol-based method. We employ phthalonitrile as an additive, leading to competing reactions during the nucleation step and finally resulting in distinct sizes and properties of the copper particles. Even though during the polyol synthesis, the copper particles are partially protected from the high tendency of copper to oxidize, further treatment leads to the formation of a thin passivating and semiconducting CuxO layer. CuxO is known to be a visible light photocatalyst. We therefore investigate the size-dependent (photo)catalytic activity of these colloids using rhodamine B (RhB) as a model organic pollutant. Following asymmetrization via deposition of a thin Au layer on one hemisphere, we also demonstrate the applicability as a photocatalytic micromotor.

Journal of Physical Chemistry C published new progress about Colloids. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Formula: C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Hu, Yong-Xu published the artcileNovel Ir(III) complexes ligated with 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole for highly efficient OLEDs with mild efficiency roll-off, Quality Control of 100-70-9, the main research area is iridium complex ligated difluoropyridinylbenzothiazole OLED efficiency.

2-Phenylbenzothiazole-based Ir(III) complex [(bt)2Ir(acac)] is a class of typical yellow phosphorescence material, which has been widely used in OLEDs. However, (bt)2Ir(acac) exhibited only mild photoluminescence quantum efficiency (PLQY) of 0.26-0.28. To further improve the luminous efficiency of benzothiazole-based Ir(III) complex and then boost the corresponding electroluminescent performance, (fpbt)2Ir(pic) and (fpbt)2Ir(tftp) were successfully synthesized, where 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole (fpbt) was applied as C∩N main ligand, and 2-pyridine carboxylic acid (pic), 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)pyridine (tftp) acted as different auxiliary ligands. Both (fpbt)2Ir(pic) and (fpbt)2Ir(tftp) presented excellent PLQYs (0.93-0.95) and high thermostability (330-360 °C). The vacuum-deposited devices following the architecture of ITO/TAPC/CBP: dopant/TPBi/Liq/Al demonstrated prominent performances. Of them, (fpbt)2Ir(pic)-doped OLEDs exhibited better efficiencies of 20.6%, 68.8 cd A-1, and 40.8 l m W-1 while maintaining very mild efficiency roll-off. Such outstanding electrophosphorescent performances were further investigated, which was probably attributed to the following factors: (1) high PLQY; (2) good electron mobility; (3) uniform film-forming property.

Dyes and Pigments published new progress about Band gap. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Quality Control of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kumar, Deepak published the artcileSyntheses and characterizations of calcium and strontium based coordination compounds with the 5-(2-pyridyl)tetrazolate ligand, respectively exhibiting extended 1 D and 2 D structures, SDS of cas: 100-70-9, the main research area is calcium strontium pyridyltetrazolate complex preparation crystal structure luminescence; thermal stability calcium strontium pyridyltetrazolate complex.

Coordination compounds of calcium and strontium with 5-(2-pyridyl)tetrazolate ligand (2-PTZ) were obtained by the reactions of the resp. metal nitrates with 2-cyanopyridine, 2-cyanoacetamide and sodium azide in aqueous solutions Both the complexes have similar composition i.e. [M(2-PTZ)2(H2O)4]n.2nH2O where M = Ca(II) (1) and Sr(II) (2). The products were characterized by FTIR spectra and single-crystal x-ray diffractions. Their photoluminescences, bandgaps, and thermal properties were studied. Single crystal x-ray diffractions revealed that both 1 and 2 have distorted square anti-prismatic mol. geometries wherein the two 2-PTZ anions act as bidentate ligands by coordinating via their pyridine-N and tetrazole-N atoms. In both the mols. six water mols., of which four acting as monodentate ligands, and the remaining two in the lattices were present. The lattice H2O mols. significantly stabilized the structures through N··H··O hydrogen bonds with the 2-PTZ ligands in the structures. Compound 2 (with around 50% decomposition) shows better thermal stability than calcium-based compound 1(72% decomposition).

Journal of Molecular Structure published new progress about Band gap. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Luc, Nhu-Quynh published the artcileDensity Function Theory calculation, and phthalonitrile process for a synthesis of single crystal zinc phthalocyanine, SDS of cas: 91-15-6, the main research area is single crystal zinc phthalocyanine phthalonitrile density function theory.

This study aims to synthesize the β-phase single crystal of zinc phthalocyanine (ZnPc) by using phthalonitrile process and vapor deposition. The single-crystal X-ray diffraction was used to identify the mol. structure and lattice parameters of the synthesized material. The mol. structure, frontier MOs, and IR spectroscopy of ZnPc were investigated through Time Dependent (TD)-D. Function Theory (DFT) calculations that is compared with exptl. results. For the solid-state simulation, the exptl. crystallog. data was used to determine band structure and d. of state using DFT method on Quantum Espresso. The β-phase monoclinic single crystal of ZnPc is as a direct band gap semiconductor with the calculated energy gap of 2.1 eV, and the Fermi energy level of 2.61 eV.

Materials Science in Semiconductor Processing published new progress about Band gap. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, SDS of cas: 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Manning, Trevor W. published the artcileStructure of an unusual tetracyclic deoxyguanosine adduct: Implications for frameshift mutagenicity of ortho-cyano nitroanilines, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is structure tetracyclic deoxyguanosine adduct frameshift mutagenicity orthocyanonitroaniline.

Nitroarom. compounds represent a major class of industrial chems. that are also found in nature. Polycyclic derivatives are regarded as potent mutagens and carcinogens following bioactivation to produce nitrenium electrophiles that covalently modify DNA to afford N-linked C8-2′-deoxyguanosine (C8-dG) lesions that can induce frameshift mutations, especially in CpG repeat sequences. In contrast, their monocyclic counterparts typically exhibit weak mutagenicity or a lack thereof, despite also undergoing bioactivation to afford N-linked C8-dG adducts. Recently, it has been reported that cyano substitution can greatly increase the mutagenicity of nitroaniline derivatives that are components of azo dyes. The basis of this “”cyano effect”” may be rooted in the formation of a novel polycyclic adduct arising from initial formation of the N-linked C8-dG adduct followed by a cyclization process involving N7 of dG and the ortho-CN group of the attached C8-aryl moiety to generate a quinazolinimine ring as part of a fused tetracyclic C8,N7-dG adduct structure. The present work structurally characterizes this novel cyclic adduct using a combination of optical spectroscopies, NMR anal., d. functional theory (DFT) calculations, and mol. dynamics (MD) simulations. Our data indicate that this highly fluorescent cyclic adduct adopts the promutagenic syn conformation and can stabilize the slipped mutagenic intermediate (SMI) within the CpG repeat of the NarI sequence, which is a hotspot for frameshift mutagenesis mediated by polycyclic N-linked C8-dG adducts. In contrast, the open para-CN (4-aminobenzontrile-derived) N-linked C8-dG adduct is less likely to disrupt the canonical B-form. Together, our results provide a rationale for the potent mutagenicity of cyano-substituted nitroaniline derivatives recently reported in frameshift-sensitive tester strains.

Chemical Research in Toxicology published new progress about Azo dyes. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

V., Bhavadhaarani published the artcileCombined treatment of synthetic textile effluent using mixed azo dye by phyto and phycoremediation, Recommanded Product: 2,3-Dimethoxybenzonitrile, the main research area is azo dye textile effluent phytoremediation bioadsorptive wastewater treatment; Phycoremediation; phytoremediation; textile effluent.

Phytoremediation is one of the biol. approaches for remediating textile dyeing effluents. The objective of this study is the use of Pistia stratiotes, an aquatic macrophyte, which was found to degrade the maximum of 83% of mixed azo dye. A phytoreactor was designed and constructed to scale up the process of phytoremediation by P. stratiotes to treat 40mg/l of synthetic textile effluent. Continuous flow phytoreactor fed with 40mg/l (cycle 1) which showed maximum decolorization of 84%, COD removal was about 61%, BOD which was reduced up to 71.9%, and TDS removal was about 72% resp. Further to remove the residual color and toxic effects of the dyes, Phycoremediation was followed for the mixed azo dyes using the microalgae Chlorella vulgaris which showed a maximum decolorization of 99% in the batch study and 74% in the scale-up study where the treated effluent was at the most minimal discharge. Phytotoxicity tests showed 80% of germination in treated effluent, and the plants in untreated wastewater had inhibited growth that indicates only 30% of germination. Such combined biol. treatment techniques were put forward to be the most eco-friendly technol., which is cost-effective and attain zero discharge of the textile effluent.

International Journal of Phytoremediation published new progress about Azo dyes. 5653-62-3 belongs to class nitriles-buliding-blocks, name is 2,3-Dimethoxybenzonitrile, and the molecular formula is C9H9NO2, Recommanded Product: 2,3-Dimethoxybenzonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts