Category: catalyst-ligand

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 3393-45-1, is researched, SMILESS is O=C1C=CCCO1, Molecular C5H6O2Journal, Article, Natural Products and Bioprospecting called Chemical Constituents from the Whole Plant of Cuscuta reflexa, Author is Aung, Tin Thu Thu; Xia, Meng-Yuan; Hein, Pyae Phyo; Tang, Rong; Zhang, Dong-Dong; Yang, Jun; Yang, Xue-Fei; Hu, Dong-Bao; Wang, Yue-Hu, the main research direction is chem constituent plant cuscuta reflexa; 2H-pyran-2-one glucosides; Cuscuta reflexa; Platelet aggregation; Porcine pancreatic lipase; Steroidal glucosides.Formula: C5H6O2.

Two new 2H-pyran-2-one glucosides, cuscutarosides A (1) and B (2), and one new steroidal glucoside, 7β-methoxy-β-sitosterol 3-O-β-glucopyranoside (3), together with 12 known compounds (4-15) were isolated from the whole plant of Cuscuta reflexa (Convolvulaceae) collected from Myanmar. The chem. structures of these new compounds were elucidated based on extensive spectroscopic anal. The antiobesity activity of these isolates was evaluated using porcine pancreatic lipase (PPL), and the antiplatelet aggregation activity was screened using rabbit platelets induced by thrombin, platelet-activating factor (PAF), arachidonate (AA), or collagen. 7β-Methoxy-β-sitosterol 3-O-β-glucopyranoside (3) showed weak PPL inhibitory activity. Cuscutaroside A (1), its acetylated derivative (1a), and scrophenoside B (8) showed weak inhibitory activity against rabbit platelet aggregation induced by collagen. Compound 1a also showed inhibitory activity against rabbit platelet aggregation induced by AA.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Quality Control of Basic copper carbonate. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Basic copper carbonate, is researched, Molecular CH2Cu2O5, CAS is 12069-69-1, about Catalytic Urea Synthesis from Ammonium Carbamate Using a Copper(II) Complex: A Combined Experimental and Theoretical Study. Author is Hanson, Danielle S.; Wang, Yigui; Zhou, Xinrui; Washburn, Erik; Ekmekci, Merve B.; Dennis, Donovan; Paripati, Amay; Xiao, Dequan; Zhou, Meng.

The synthesis of urea fertilizer is currently the largest CO2 conversion process by volume in the industry. In this process, ammonium carbamate is an intermediate en route to urea formation. We determined that the tetraammineaquacopper(II) sulfate complex, [Cu(NH3)4(OH2)]SO4, catalyzed the formation of urea from ammonium carbamate in an aqueous solution A urea yield of up to 18 ± 6% was obtained at 120°C after 15 h and in a high-pressure metal reactor. No significant urea formed without the catalyst. The urea product was characterized by Fourier transform IR (FT-IR), powder X-ray diffraction (PXRD), and quant. 1H{13C} NMR analyses. The [Cu(NH3)4(OH2)]SO4 catalyst was then recovered at the end of the reaction in a 29% recovery yield, as verified by FT-IR, PXRD, and quant. UV-vis spectroscopy. A precipitation method using CO2 was developed to recover and reuse 66 ± 3% of Cu(II). The catalysis mechanism was investigated by the d. functional theory at the B3LYP/6-31G** level with an SMD continuum solvent model. We determined that the [Cu(NH3)4]2+ complex is likely an effective catalyst structure. The study of the catalysis mechanism suggests that the coordinated carbamate with [Cu(NH3)4]2+ is likely the starting point of the catalyzed reaction, and carbamic acid can be involved as a transient intermediate that facilitates the removal of an OH group. Our work has paved the way for the rational design of catalysts for urea synthesis from the greenhouse gas CO2.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 494-52-0, is researched, SMILESS is C1(C=NC=CC=1)[C@@H]1CCCCN1, Molecular C10H14N2Journal, Article, Journal of Pharmaceutical and Biomedical Analysis called A simple dilute-and-shoot method for screening and simultaneous quantification of nicotine and alkaloid impurities in electronic cigarette refills (e-liquids) by UHPLC-DAD, Author is Barhdadi, Sophia; Desmedt, Bart; Courselle, Patricia; Rogiers, Vera; Vanhaecke, Tamara; Deconinck, Eric, the main research direction is nicotine alkaloid impurity quantification electronic cigarette liquid UHPLC DAD; Accuracy profiles; Impurities; Nicotine; UHPLC-DAD; e-cigarettes.Synthetic Route of C10H14N2.

The electronic cigarette (e-cigarette) has emerged as a popular alternative to the traditional hazardous tobacco cigarette. The substantial increase in e-cigarette use also urgently calls for controlling the quality of e-cigarette refill liquid products (e-liquids). Currently, the most important quality indicator of e-liquid products is the quantification of nicotine and its related impurities. Although different methods have been published to measure nicotine and impurity levels, the majority of them use a targeted LC-MS/MS approach. There is, however, a need for more robust quantification methods that are easy to implement in most control (industrial and governmental) laboratories Therefore, in this study, a simple dilute-and-shoot UHPLC-DAD method has been developed and validated for the simultaneous quantification of nicotine and its alkaloid impurities in electronic cigarette refills. An optimal separation of the alkaloids was achieved in a runtime of 11 min. The method was successfully validated using the “”total error”” approach in accordance with the validation requirements of ISO-17025. During this validation, interference between the target components and a number of popular flavouring compounds such as vanillin, maltol, ethylacetate, etc. could be excluded. In addition, small changes to the column temperature, pH and molar concentration of the mobile phase buffer were deliberately introduced to assess the robustness of the method. Only a slightly different outcome between the newly developed UV-detection method and the targeted MS approach was found, due to the sensitivity of the different detection techniques. However, in the context of quality control of nicotine related impurities, for which the European Pharmacopoeia limits are currently applied, the sensitivity of the UHPLC-DAD method was found to be within the acceptable range. Despite the somewhat lower selectivity of the newly developed UV-detection technique vs. a targeted LC-MS/MS approach, it may be concluded that this method is a suitable alternative for quality control purposes.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Terpyridine Zn(II), Ru(III), and Ir(III) Complexes: The Relevant Role of the Nature of the Metal Ion and of the Ancillary Ligands on the Second-Order Nonlinear Response of Terpyridines Carrying Electron Donor or Electron Acceptor Groups, published in 2005-11-28, which mentions a compound: 89972-77-0, mainly applied to transition metal terpyridine complex preparation NLO; terpyridine derivative preparation complexation transition metal hyperpolarizability; geometry optical aminphenylterpyridine, Related Products of 89972-77-0.

Coordination of 4′-(C6H4-p-X)-2,2′:6′,2”-terpyridines [X = NO2, NBu2, (E)-CH:CHC6H4-p-NBu2, (E,E)-(CH:CH)2C6H4-p-NMe2] to Zn(II), Ru(III), and Ir(III) metal centers induces a significant enhancement of the absolute value of the 2nd-order nonlinear optical (NLO) response of the terpyridine, measured by both elec. field induced 2nd harmonic generation and solvatochromic methods. By varying the nature of the metal center, the enhanced 2nd-order NLO response shifts from pos. to neg. Such a shift is controlled by electronic charge-transfer transitions, such as metal-to-ligand or ligand-to-metal transitions, in addition to the intraligand charge transfer. The enhancement generated by coordination is also controlled by the chelation effect and by fine-tuning of the ancillary ligands.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

SDS of cas: 2834-05-1. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Artificial photosynthesis: photoanodes based on polyquinoid dyes onto mesoporous tin oxide surface. Author is Volpato, Giulia Alice; Colusso, Elena; Paoloni, Lorenzo; Forchetta, Mattia; Sgarbossa, Francesco; Cristino, Vito; Lunardon, Marco; Berardi, Serena; Caramori, Stefano; Agnoli, Stefano; Sabuzi, Federica; Umari, Paolo; Martucci, Alessandro; Galloni, Pierluca; Sartorel, Andrea.

Dye-sensitized photoelectrochem. cells represent an appealing solution for artificial photosynthesis, aimed at the conversion of solar light into fuels or commodity chems. Extensive efforts have been directed towards the development of photoelectrodes combining semiconductor materials and organic dyes; the use of mol. components allows to tune the absorption and redox properties of the material. Recently, we have reported the use of a class of pentacyclic quinoid organic dyes (KuQuinone) chemisorbed onto semiconducting tin oxide as photoanodes for water oxidation In this work, we investigate the effect of the SnO2 semiconductor thickness and morphol. and of the dye-anchoring group on the photoelectrochem. performance of the electrodes. The optimized materials are mesoporous SnO2 layers with 2.5 μm film thickness combined with a KuQuinone dye with a 3-carboxylpropyl-anchoring chain: these electrodes achieve light-harvesting efficiency of 93% at the maximum absorption wavelength of 533 nm, and photocurrent d. J up to 350 μA/cm2 in the photoelectrochem. oxidation of ascorbate, although with a limited incident photon-to-current efficiency of 0.075%. Calculations based on the d. functional theory (DFT) support the role of the reduced species of the KuQuinone dye via a proton-coupled electron transfer as the competent species involved in the electron transfer to the tin oxide semiconductor. Finally, a preliminary investigation of the photoelectrodes towards benzyl alc. oxidation is presented, achieving photocurrent d. up to 90 μA/cm2 in acetonitrile in the presence of N-hydroxysuccinimide and pyridine as redox mediator and base, resp. These results support the possibility of using mol.-based materials in synthetic photoelectrochem.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 3393-45-1, is researched, Molecular C5H6O2, about Unified Total Synthesis of Five Bufadienolides, the main research direction is bufadienolide synthesis antitumor.Computed Properties of C5H6O2.

We report a unified total synthesis of five bufadienolides: bufalin, bufogenin B, bufotalin, vulgarobufotoxin, and 3-(N-succinyl argininyl) bufotalin. After the steroidal ABCD ring was produced, the D ring was cross-coupled with a 2-pyrone moiety and stereoselectively epoxidized. TMSOTf promoted a stereospecific 1,2-hydride shift to establish the β-oriented 2-pyrone. Functional group manipulations furnished the bufadienolides, which potently inhibited cancer cell growth.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Chamchoumis, Charles; Potvin, Pierre G. published an article about the compound: 4-(p-Tolyl)-2,2:6,2-terpyridine( cas:89972-77-0,SMILESS:CC1=CC=C(C2=CC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=C2)C=C1 ).Recommanded Product: 89972-77-0. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:89972-77-0) through the article.

Condensations of 2-acetylpyridine with p-tolualdehyde and 4-tert-butylbenzaldehyde furnish three new cyclohexanol 3:2 condensates. 4′-P-tolyl-2,2′:6′,2”-terpyridine was prepared via the new 2:1 condensate, 1,5-di(2-pyridyl)-3-(4-methylphenyl)pentane-1,5-dione.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Chinese Journal of Chemistry called Phase Behaviors of Multi-tailed B2AB2-Type Regio-isomeric Giant Surfactants at the Columnar-Spherical Boundary, Author is Shao, Yu; Han, Di; Yan, Xiaojin; Hou, Bo; Li, Yiwen; He, Jinlin; Fu, Qiang; Zhang, Wen-Bin, which mentions a compound: 2834-05-1, SMILESS is O=C(O)CCCCCCCCCCBr, Molecular C11H21BrO2, COA of Formula: C11H21BrO2.

We report herein the precision synthesis and phase behaviors of multi-tailed B2AB2-type regio-isomeric giant surfactants consisting of a hydrophilic polyhedral oligomeric silsesquioxane (POSS) head tethered with four hydrophobic polystyrene (PS) tails. The synthesis was accomplished through two sequential “”click”” reactions to give a series of regio-isomeric giant surfactants S2DS2 (where S is short for PS tails and D for hydroxyl-functionalized POSS) in para-, meta-, and ortho-configurations. Their phase structures and phase behaviors at the columnar-spherical boundary were investigated with a single PS tail mol. weight of 1.4 kDa. Specifically, the para- and meta-isomers show hexagonally packed cylinders phases with slightly different order-disorder transition temperatures (~120°C and ~130°C) and the ortho-isomer exhibits an order-order transition from a kinetically favored, metastable do decagonal quasi-crystal phase to a thermodynamically stable sigma phase at ~120°C, as well as a further transition into the disordered state at ~140°C. The phase diagram was constructed and their differences were rationalized based on the calculated interfacial area per mol. This work demonstrates that tiny structural disparity could not only lead to unconventional phase formation in single-component macromols., but also render dynamic and rich phase behaviors in these macromol. assemblies.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Jaison, D.; Chandrasekaran, Gopalakrishnan; Mothilal, M. researched the compound: 5,6-Dihydro-2H-pyran-2-one( cas:3393-45-1 ).Safety of 5,6-Dihydro-2H-pyran-2-one.They published the article 《pH-sensitive natural almond gum hydrocolloid based magnetic nanocomposites for theragnostic applications》 about this compound( cas:3393-45-1 ) in International Journal of Biological Macromolecules. Keywords: iron oxide gum hydrocolloid magnetic nanocomposite theragnostic application; Almond gum; Anti-solvent; Natural hydrocolloids; pH responsive; γFe(2)O(3). We’ll tell you more about this compound (cas:3393-45-1).

In this study, iron oxide (γFe2O3) nanoparticles synthesized via hydrothermal route and doxorubicin (Dox) were successfully encapsulated into natural almond gum hydrocolloids via antisolvent precipitation technique. Cubic γFe2O3 crystal structure of the synthesized iron oxide nanoparticles were confirmed using X-ray diffraction and XPS. The refinement of XRD and elemental anal. revealed oxygen vacancies, which is also indicated by an increased magnetization comparable to bulk γFe2O3. Magnetization studies revealed the superparamagnetic nature of IO and IODPC nanoparticles. The particles were characterized for its morphol. (TEM and FESEM), size (FESEM, DLS), surface charge (DLS) and MRI (proton relaxation). The heating ability of the IO and IODPC nanoparticles was studied and their specific absorption rate was found to be 83.06 W/g and 154.37 W/g resp. The entrapment efficiency of the IODPC nanoparticles was found to be 88.29%. The drug release studies revealed that IODPC nanoparticles were more responsive towards acidic pH and their release follows Higuchi diffusion kinetics. In-vitro uptake and in-vitro cell viability studies were performed for IODPC nanoparticles using HeLA cell lines.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, N.I.H., Extramural, Research Support, Non-U.S. Gov’t, Journal of Organic Chemistry called Direct Catalytic Asymmetric Synthesis of Trifluoromethylated γ-Amino Esters/Lactones via Umpolung Strategy, Author is Hu, Bin; Deng, Li, which mentions a compound: 3393-45-1, SMILESS is O=C1C=CCCO1, Molecular C5H6O2, Computed Properties of C5H6O2.

Enabled by the discovery of new cinchonium salts and coadditives, a direct and efficient asym. access to trifluoromethylated γ-amino esters/lactones has been realized through the enantioselective and diastereoselective umpolung reaction of trifluoromethyl imines with acrylates or α,β-unsaturated lactones as carbon electrophiles. At 0.5-5.0 mol % catalyst loadings, the newly developed catalytic system activates a variety of imine substrates as unconventional nucleophiles to mediate highly chemo-, regio-, diastereo-, and enantioselective C-C bond forming reactions. The developed synthetic protocol represents an excellent strategy to target a series of versatile and enantiomerically enriched γ-amino esters/lactones in good to excellent yields from the readily available starting materials. Addnl., we found that the epi-vinyl catalysts based on cinchonidine and quinine promote a similarly high enantioselective reaction generating the opposite configuration of chiral products in a highly efficient manner, which allows convenient access to either the R- or S-enantiomer of the chiral amine products in high yields and excellent enantioselectivities.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI