Category: isoquinoline

Li, Kai published the artcileEnhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation, COA of Formula: C8H10O2, the main research area is acidity activity aluminum gallium based ionic liquid anionic speciation; Friedel Crafts acylation alkylation reaction catalyst.

To explore if the catalytic activity of single-metal species in halometallate catalysts can be enhanced with mixed-metal species, aluminum and gallium were simultaneously introduced to prepare a mixed-metal ionic liquid (IL) through a one-pot reaction of [HN222]Cl, AlCl3, and GaCl3 in various amounts The Lewis acidity in Friedel-Crafts acylation and alkylation reactions of these IL compositions were evaluated and all mixed-metal [HN222][xAlCl3 + (2 – x)GaCl3]Cl ILs exhibited higher catalytic activity than AlCl3, GaCl3, [HN222][Al2Cl7], or [HN222][Ga2Cl7]. The broadening in 27Al NMR of these ILs indicates the presence of dynamic anionic species, whereas matrix-assisted laser-desorption ionization time-of-flight (MALDI-TOF) and acetonitrile-probed Fourier transform IR (FT-IR) analyses correlates the structure-activity relationship, for instance, identifying the presence of mixed-metal-containing [Cl2GaOClAlClOGaCl2]- species in the better-performing ILs.

ACS Catalysis published new progress about Alkylation. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, COA of Formula: C8H10O2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Das, Kanu published the artcileN-Alkylation of Amines Catalyzed by a Ruthenium-Pincer Complex in the Presence of in situ Generated Sodium Alkoxide, Recommanded Product: 4-Methoxy-N-methylaniline, the main research area is secondary amine preparation density functional theory; alc primary amine alkylation ruthenium catalyst.

The use of ruthenium-NNN-pincer complexes of the type (R2NNN)RuCl2(PPh3) (R = tBu, iPr, Cy and Ph) for the catalytic N-alkylation of primary amines R-NH2 (R = Ph, propan-2-yl, thiophen-2-ylmethyl, etc.) under solvent-free conditions were reported. For the first time, the base that is required to promote these reactions is generated in situ from the alcs. R1-OH (R1 = Bu, (4-fluorophenyl)methyl, furan-2-ylmethyl, etc.) by the use of sodium. The resulting sodium alkoxide regenerates the alcs. substrate while acting as the water scavenger thus mitigating the need of an addnl. base. Among the catalysts screened, (tBu2NNN)RuCl2(PPh3) (0.02 mol-%) gives very high turnovers and good yields at 140 °C. The (tBu2NNN)RuCl2(PPh3) catalyzed N-alkylation tolerates a variety of amine and alc. substrates. While excellent turnover (29000) was obtained for the (tBu2NNN)RuCl2(PPh3) (0.002 mol-%) catalyzed alkylation of aniline with cyclohexyl methanol, the turnovers obtained in the corresponding catalytic methylation of p-anisidine was also very high (12000). The (tBu2NNN)RuCl2(PPh3) catalyzed reactions have also been accomplished under open-vessel conditions resulting in a net dehydrogenative coupling reaction. This protocol has been used to transform benzene-1,2-diamine to benzimidazoles I (R2 = H, F, OMe) with high productivity (12000 turnovers). DFT studies indicate that while β-hydride elimination is rate-determining (RDTS: 24.31 kcal/mol) for the alc. dehydrogenation segment which is endothermic, insertion of the imine is rate-determining (RDTS: 11.26 kcal/mol) for its hydrogenation that is exothermic.

European Journal of Organic Chemistry published new progress about Alkylation. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Recommanded Product: 4-Methoxy-N-methylaniline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Schiesser, Stefan published the artcileN-Trifluoromethyl Amines and Azoles: An Underexplored Functional Group in the Medicinal Chemist’s Toolbox, Formula: C8H11NO, the main research area is trifluoromethyl amine azole synthesis solubility permeability drug discovery.

Introducing trifluoromethyl groups is a common strategy to improve the properties of biol. active compounds However, N-trifluoromethyl moieties on amines and azoles are very rarely used. To evaluate their suitability in drug design, we synthesized a series of N-trifluoromethyl amines and azoles, determined their stability in aqueous media, and investigated their properties. We show that N-trifluoromethyl amines are prone to hydrolysis, whereas N-trifluoromethyl azoles have excellent aqueous stability. Compared to their N-Me analogs, N-trifluoromethyl azoles have a higher lipophilicity and can show increased metabolic stability and Caco-2 permeability. Furthermore, N-trifluoromethyl azoles can serve as bioisosteres of N-iso-Pr and N-tert-Bu azoles. Consequently, we suggest that N-trifluoromethyl azoles are valuable substructures to be considered in medicinal chem.

Journal of Medicinal Chemistry published new progress about Alkylation. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Formula: C8H11NO.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Clausen, Per Axel published the artcileBiocidal spray product exposure: Measured gas, particle, and surface concentrations compared with spray model simulations, Synthetic Route of 1205-17-0, the main research area is biocidal spray product simulation air pollution healt risk; Aerosols; ConsExpo Web; disinfectant; modeling.

The purpose of the study was to compare measured air and surface concentrations after application of biocidal spray products with concentrations simulated with the ConsExpo Web spray simulation tool. Three different biocidal spray products were applied in a 20 m3 climate test chamber with well-controlled environmental conditions (22 ± 1°C, 50 ± 2% relative humidity, and air exchange rate of 0.5 h-1). The products included an insect spray in a pressurized spray can, another insect spray product, and a disinfectant, the latter two applied sep. with the same pumped spray device. The measurements included released particles, airborne organic compounds in both gas and particle phase, and surface concentrations of organic compounds on the wall and floor in front of the spraying position and on the most remote wall. Spraying time was a few seconds and the air concentrations were measured by sampling on adsorbent tubes at 9-13 times points during 4 h after spraying. The full chamber experiment was repeated 2-3 times for each product. Due to sedimentation the concentrations of the particles in air decayed faster than explained by the air exchange rate. In spite of that, the non-volatile benzalkonium chlorides in the disinfectant could be measured in the air more than 30 min after spraying. ConsExpo Web simulated concentrations that were about half of the measured concentrations of the active substances when as many as possible of the default simulation parameters were replaced by the exptl. values. ConsExpo Web was unable to simulate the observed faster decay of the airborne concentrations of the active substances, which might be due to underestimation of the gravitational particle deposition rates. There was a relatively good agreement between measured surface concentrations on the floor and calculated values based on the dislodgeable amount given in the selected ConsExpo Web scenarios. It is suggested to always supplement simulation tool results with practical measurements when assessing the exposure to a spray product.

Journal of Occupational and Environmental Hygiene published new progress about Adsorption. 1205-17-0 belongs to class isoquinoline, name is 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, and the molecular formula is C11H12O3, Synthetic Route of 1205-17-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Lin, Xiao-Tao published the artcileImmobilized Zn(OAc)2 on bipyridine-based periodic mesoporous organosilica for N-formylation of amines with CO2 and hydrosilanes, Computed Properties of 5961-59-1, the main research area is amide preparation; amine carbon dioxide phenylsilane formylation; zinc acetate bipyridine periodic mesoporous organosilica preparation catalyst.

Zinc acetate (Zn(OAc)2) was successfully immobilized on a bipyridine-based periodic mesoporous organosilica (BPy-PMO-TMS), as confirmed by solid-state NMR and energy-dispersive X-ray spectroscopies, X-ray diffractometry, and nitrogen adsorption/desorption isotherm analyses. The immobilized Zn complex, Zn(OAc)2(BPy-PMO-TMS), exhibited good catalytic activity during the N-formylations of amines and amides with CO2 and PhSiH3 to produce the corresponding formamides. Zn(OAc)2(BPy-PMO-TMS) with a lower Zn loading was found to exhibit higher catalytic activity.

New Journal of Chemistry published new progress about Adsorption. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Computed Properties of 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Xu, Jian published the artcileCatalytic degradation of diatrizoate by persulfate activation with peanut shell biochar-supported nano zero-valent iron in aqueous solution, Category: isoquinoline, the main research area is catalytic degradation diatrizoate persulfate peanut biochar iron aqueous solution; degradation; diatrizoate; nano zero-valent iron; peanut shell biochar; persulfate activated.

An emerging pollutant, diatrizoate (DTZ) has been frequently detected in aqueous solution Unique reticular peanut shell biochar (BC)-supported nano zero-valent iron (nZVI) composite (nZVI/BC) was successfully synthesized and used as a catalyst for activating persulfate (PS) to promote the removal of DTZ. The structure and morphol. of the nanocomposite materials were characterized by SEM, X-ray diffraction, Brunauer-Emmett-Teller measurements, and Fourier transform IR spectroscopy. The degradation of DTZ (20 mg L-1) was achieved by activating PS with the nanocomposite material. The removal of DTZ reached nearly 100% using 25 mM PS and 0.45 g L-1 nZVI/2BC (mass ratio of nZVI and BC at 1:2) nanocomposite material at pH 3.0 and 25°C. Influencing factors, such as dosages of nZVI/2BC and PS, temperature, and pH were also investigated. The mechanisms of PS activation with nZVI/2BC were discussed, including BC property, electron transfer, and the identification of free radicals in the reaction. The findings demonstrated that nZVI/BC-PS (peanut shell BC-supported nZVI activating PS) is a promising material for the treatment of refractory organic pollutants.

International Journal of Environmental Research and Public Health published new progress about Adsorption. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Xuri published the artcileHollow, mesoporous, eutectic Zn1-xMgxO nano-spheres as solid acid-base catalysts for the highly regio-selective O-methylation of 1,2-diphenols, Computed Properties of 151-10-0, the main research area is magnesium zinc oxide methylation regioselective catalyst nanosphere composite kinetics.

The highly regio-selective O-methylation of catechol with di-Me carbonate (DMC), catalyzed by a solid acid-base catalyst, is an environmentally friendly chem. process for industrial production of guaiacol. However, a guaiacol yield below 84% and high reaction temperature above 280 °C limit its industrial application. Here, hollow, mesoporous Zn1-xMgxO nano-spheres with a eutectic structure, denoted as Zn1-xMgxO HMNSs (x = 0.012-0.089), are facilely fabricated via the calcination of Mg2+/Zn2+ ion-adsorbing carbon spheres at 500 °C in air. In the O-methylation of catechol with DMC at 180 °C, Zn1-xMgxO HMNSs (x = 0.052) afford guaiacol in 95.5% yield with a complete catechol conversion. Furthermore, 89.0-95.3% mono-ether yields with high 1,2-diphenol conversions (94.5-100%) are also obtained for the other 1,2-diphenols bearing -CH3 and -Br groups. Moreover, a plausible mechanism for highly selective O-methylation of catechol with DMC is proposed, in which the single-site activation and double-site activation of phenolic hydroxyls by the basic oxygen of Mg-O afford guaiacol and veratrole, resp.

Catalysis Science & Technology published new progress about Adsorption. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Computed Properties of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Li, Yanqin published the artcileEffects of N-, P-, or O-containing ligands on gold-based complex catalysts for acetylene hydrochlorination, Recommanded Product: 4-Methoxyphenylacetic acid, the main research area is acetylene hydrochlorination nitrogen phosphorus oxygen ligand gold complex catalyst.

In line with the fulfillment of international Minamata Convention and the urgent need for developing non-mercury catalysts, Au-Lx/AC catalysts were synthesized and evaluated for the hydrochlorination of acetylene. The results showed that the interaction between ligands and Au species contributed to the enhanced catalytic activity with important and different roles of each ligand. Depending on the high electronegativity of heteroatoms, all the prepared catalysts had effectively improved their adsorption and activation capacity of hydrogen chloride. Specifically, the N-containing ligands in catalysts increased the dispersion of Au species and an enhanced adsorption of acetylene was observed While, the coordination of P-containing ligands with Au can increase the relative content of active Aun+ species and the O-containing ligands rather decreased the adsorption of acetylene. Furthermore, all the prepared Au-Lx/AC catalysts showed good stabilities based on the inhibition of the agglomeration of Au components or of coking deposition.

Applied Catalysis, A: General published new progress about Adsorption. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Recommanded Product: 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Gu, Lin published the artcileInsights into the role of an Fe-N active site in the oxygen reduction reaction on carbon-supported supramolecular catalysts, Product Details of C2H5N5, the main research area is iron nitrogen active site oxygen reduction carbon supramol catalyst.

In this study, a nitrogen-containing ligand supramol. named PPYTZ was successfully synthesized using 2,6-pyridinedicarboxylic acid chloride and 3,5-diamino-1,2,4-triazole in order to carry out oxygen reduction reaction (ORR). Such a polymer provides abundant coordination sites for iron ions, and the PPYTZ-Fe/C composite catalyst was formed with the PPYTZ-Fe complex loading on the surface of Vulcan XC-72 carbon. The phys. characteristics and ORR performance of the composite catalysts were characterized systematically via various relevant techniques, and their catalytic activity and reaction mechanism were evaluated and compared. The results showed that the catalytic activities and the reaction mechanism of ORR were highly dependent on the formation of an Fe-N unit. Accordingly, the PPYTZ-Fe/C catalyst containing Fe-N active sites exhibited high ORR catalytic activity (an onset potential of +0.86 V vs. RHE) in 0.1 M KOH. Such an Fe-N catalyst can accelerate the adsorption of O2 and increase the limiting c.d. (from 2.49 mA cm-2 to 4.98 mA cm-2), optimizing the ORR catalytic process from a two-electron process to a four-electron process (an n value of 3.8).

RSC Advances published new progress about Adsorption. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Norra, Giannis-Florjan published the artcileRemoval of persistent organic contaminants from wastewater using a hybrid electrochemical-granular activated carbon (GAC) system, HPLC of Formula: 117-96-4, the main research area is granular activated carbon organic contaminant wastewater treatment.

A three-dimensional (3D) electrochem. flow-through reactor equipped with GAC packed bed, polarized by the elec. field, was evaluated for the removal of persistent organic contaminants from real sewage effluent. The performance of the reactor was investigated for 27 consecutive runs at two anodic current densities, i.e., low c.d. (LCD) of 15 A m-2, and high c.d. (HCD) of 100 A m-2. In the HCD experiments, the adsorption ability of saturated GAC was increased, mainly due to the increase in the mesoporosity of GAC. A synergy between electrosorption/adsorption on GAC and electrooxidation was observed in terms of the removal of all target pollutants. DEET presented the highest synergy, ranging from 40% to 57%, followed by iopromide (22-46%), carbamazepine (15-34%) and diatrizoate (4-30%). The addition of GAC decreased the concentrations of toxic chlorate and perchlorate by 2-fold and 10-fold, resp., due to their electrosorption on GAC. Also, 3D electrochem. system yielded lower concentrations of adsorbable organic iodide (AOI) and adsorbable organic chlorine (AOCl). Thus, addition of low amounts of GAC in electrochem. systems may be a low-cost and simple way of minimizing the formation and final effluent concentrations of toxic halogenated byproducts.

Journal of Hazardous Materials published new progress about Adsorption. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, HPLC of Formula: 117-96-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem