Category: catalyst-ligand

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 Unexpected binuclear O-O cleavage and radical C-H activation mechanism for Cu-catalyzed desaturation of lactone, the main research direction is lactone copper desaturation bond cleavage radical activation mechanism.Application of 3393-45-1.

A d. functional theory study of Cu-catalyzed desaturation of δ-valerolactone into α,β-unsaturated counterparts reveals an unexpected binuclear di-tert-Bu peroxide (DTBP) homolysis with spin-crossover and a radical α-C-H bond activation mechanism. The rate-determining step in the reaction catalyzed by CuIOAc-CyPPh2 is the homolysis of the O-O bond in DTBP with a total free energy barrier of 26.9 kcal mol-1, which is consistent with the observed first-order dependences on LCuI-PR3 and DTBP, as well as the pseudo-zeroth-order with lactone. The α- and β-H transfer steps have 0.3 and 14.8 kcal mol-1 lower barriers than the O-O cleavage process, resp. Such different barriers well explain the observed weak kinetic isotopic effect (KIE) at α-H and no KIE at β-H. In addition, we found that the replacement of CyPPh2 for pyridine in the Cu complexes leads to much higher barriers for O-O bond cleavage and C-H bond activations with the formation of more stable binuclear Cu complexes.

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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: 2834-05-1, is researched, Molecular C11H21BrO2, about Gold Nanoparticles Thin Films with Thermo- and Photoresponsive Plasmonic Properties Realized with Liquid-Crystalline Ligands, the main research direction is gold nanoparticle film thermoresponsive photoresponsive plasmon liquid crystalline ligand; liquid crystals; nanoparticles; photoresponsive materials; self-assembly; surface plasmon resonance.Product Details of 2834-05-1.

Robust synthesis of large-scale self-assembled nanostructures with long-range organization and a prominent response to external stimuli is critical to their application in functional plasmonics. Here, the 1st example of a material made of liquid crystalline nanoparticles which exhibits UV-light responsive surface plasmon resonance in a condensed state is presented. To obtain the material, metal cores are grafted with 2 types of organic ligands. A promesogenic derivative softens the system and induces rich liquid crystal phase polymorphism. Second, an azobenzene derivative endows nanoparticles with photoresponsive properties. Nanoparticles covered with a mixture of these ligands assemble into long-range ordered structures which exhibit a novel dual-responsivity. The structure and plasmonic properties of the assemblies can be controlled by a change in temperature as well as by UV-light irradiation These results present an efficient way to obtain bulk quantities of self-assembled nanostructured materials with stability that is unattainable by alternative methods such as matrix-assisted or DNA-mediated organization.

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

HPLC of Formula: 89972-77-0. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about Design and Characterization of an Electrically Powered Single Molecule on Gold. Author is Pawlak, Remy; Meier, Tobias; Renaud, Nicolas; Kisiel, Marcin; Hinaut, Antoine; Glatzel, Thilo; Sordes, Delphine; Durand, Corentin; Soe, We-Hyo; Baratoff, Alexis; Joachim, Christian; Housecroft, Catherine E.; Constable, Edwin C.; Meyer, Ernst.

The 4′-(4-tolyl)-2,2′:6′,2”-terpyridine adsorbed on the Au(111) herringbone structure has been studied by combining scanning tunneling microscopy and at. force microscopy. Mols. are controllably translated by electrons excitations over the reconstruction, except at elbows acting as pinning centers. Exptl. data supported by theor. calculations show the formation of coordination bonds between the mol. and Au atoms of the surface. Using force spectroscopy, we quantify local variation of the surface potential and the lateral force required to move the mol. The authors found an elevation of the diffusion barrier at elbows of the reconstruction of ∼100 meV compared to the rest of the surface.

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

Related Products of 494-52-0. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Simultaneous determination of six alkaloids in tobacco and tobacco products by direct analysis of real-time triple quadrupole mass spectrometry with a modified pretreatment method. Author is Li, Chao; Li, E’xian; Ma, Ming; Liu, Xiuming; You, Junheng; Wu, Yiqin; Jiang, Wei; Liu, Zhihua; Qin, Yunhua.

In order to determine six alkaloids (mass fraction) of nicotine, nornicotine, myosmine, anatabine, anabasine, and nicotyrine in tobacco and tobacco products quickly, accurately, and simultaneously, a novel method based on direct anal. of real-time model in situ ionization technique combined tandem mass spectrometry with a modified sample pretreatment was established, in which exptl. parameters such as the type and amount of extraction solvent and injection rate were optimized, resp. The samples of five com. cigarettes and five kinds of tobacco leaves were analyzed by the established method, and the determined values were compared with those obtained using a gas chromatog. with mass spectrometry method: (1) Under optimized conditions (30 mL ultrapure water as extraction solvent and with extraction rate of 0.6 mm/s), anal. could be completed within 10 min. (2) The linear range of the method was 0.002-2000μg/g with R2=0.9957, the recovery ranged from 86.8 to 105.6%, and the limit of detection and the limit of quantification were 0.004-0.835μg/g and 0.013-2.787μg/g, resp. (3) The relative standard deviation between direct anal. of real-time method and the gas chromatog. with mass spectrometry method was 0.34-8.83%. The established method is rapid, reliable, and suitable for the ultrafast determination of six alkaloids in tobacco and tobacco products.

The article 《Simultaneous determination of six alkaloids in tobacco and tobacco products by direct analysis of real-time triple quadrupole mass spectrometry with a modified pretreatment method》 also mentions many details about this compound(494-52-0)Related Products of 494-52-0, you can pay attention to it, because details determine success or failure

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

Electric Literature of C5H8O3. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Multi-Gram Scale Synthesis of Chiral 3-Methyl-2,5-trans-tetrahydrofurans. Author is Qin, Shuanglin; Cao, Yuting; Luo, Yunhao; Jiang, Shende; Clark, J. Stephen; Wang, Xiaoji; Yang, Guang.

In this article, we report the rapid and facile synthesis of chiral 3-methyl-2,5-trans-tetrahydrofurans. This reaction utilizes cheap and easily available starting materials. A domino hydrolysis and intramol. Michael-type ring closure reaction was the key step. As a result, synthesis of the desired 3-methyl-2,5-trans-tetrahydrofurans could be achieved in gram-scale over seven linear steps with high chem. yield and high diastereoselectivity.

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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about An Enantioselective Ring Expansion Route Leading to Furanose and Pyranose Nucleosides Featuring Spirodiketopiperazines at the Anomeric Position.Recommanded Product: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one.

A study directed at the enantioselective synthesis of spirodiketopiperazine homologs, e.g. I, of hydantocidin is described. Furanoid glycals, systems that are amenable to C-5 metalation in the presence of tert-butyllithium, are readily coupled to N-protected 2,3-azetidinediones provided that at least 1 equiv of BF3·OEt2 is present to curb enolization. The resulting 1:1 mixtures of carbinols undergo smooth ring expansion to spirocyclic keto amides when heated with pyridinium p-toluenesulfonate in benzene. 1,2-acyl shifts operate exclusively. Since attempts to engage these products in Beckmann rearrangement proved singularly unsuccessful, recourse was alternatively made to new methodol. based upon sequential Baeyer-Villiger oxidation and ammonolysis. The data show that the first of these steps occurs with exclusive migration of the quaternary carbon. Furthermore, nucleophilic attack by NH3 can be directed regioselectively to the anomeric region. If heating is supplied during acid-promoted cyclization to the spirodiketopiperazines, spiropyranose derivatives are produced in a complementary process. The central issue of this synthesis effort was the utilization of 4-phenylseleno-substituted furanoid glycals so as to ultimately enable introduction of the cis-diol functionality at C-3 and C-4 (hydantocidin numbering).

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

Reference of 11-Bromoundecanoic acid. 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 Development of technetium-99m labeled ultrafine gold nanobioconjugates for targeted imaging of folate receptor positive cancers. Author is Kumar, Dheeraj; Sakhare, Navin; Das, Soumen; Kale, Pooja; Mathur, Anupam; Mirapurkar, Shubhangi; Muralidharan, Sheela; Chaudhari, Pradip; Mohanty, Bhabani; Ballal, Anand; Patro, Pankaj.

The present work aims to develop and evaluate a radioactive technetium-99m (99mTc) labeled gold nanoparticle (NP) preparation modified with folic acid, so as to diagnose folate receptor pos. cancers viz. ovarian, breast, etc.11-Bromoundecanoic acid (UA) was synthetically modified both with folic acid and Hydrazinonicotinic acid (HYNIC) chelate at the carboxylic acid end and subsequently converted to thiol functionality at the bromo terminal to yield folic acid-UA-SH and HYNIC-UA-SH ligands resp. Gold NPs modified with folic acid and HYNIC chelator were obtained on direct addition of folic acid-UA-SH and HYNIC-UA-SH to chloroauric acid in polysorbate 80 solution under reducing conditions. Inhibition of [3H]folic acid with functionalized gold nanoparticle revealed affinity towards FR pos. KB cell lines with an IC50 9 μM. Biodistribution studies of 99mTc-labeled gold NP preparation in SCID mice bearing KB tumor showed an uptake of 1.39 ± 0.18%ID/g in tumor and 5.48 ± 0.72%ID/g in kidneys at 3 h post-injection. In vivo distribution in folic acid pre-treated animals could not establish the specificity towards folate receptors. Biol. evaluation of functionalized gold NP showed affinity towards FR pos. cancer cell lines. 99mTc-labeled NP exhibited target uptake in both in vitro and in vivo models, but folic acid inhibition could not establish the target specificity.

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

Quality Control of 11-Bromoundecanoic acid. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Molecular Conformation in Charge Tunneling across Large-Area Junctions. Author is Du, Chuanshen; Norris, Sean R.; Thakur, Abhishek; Chen, Jiahao; VanVeller, Brett; Thuo, Martin.

Self-assembled monolayers are predicated on thermodn. equilibrium; hence, their properties project accessible relaxation pathways. Herein, we demonstrate that charge tunneling correlates with conformational degrees of freedom(s). Results from open chain and cyclic head groups show that, as expected, distribution in tunneling data correlates with the orientation of the head group, akin to the odd-even effect and more importantly the degree of conformational freedom, but fluctuates with applied bias. Trends in nature of distributions in c.d. illuminate the need for higher statistical moments in understanding these rather dynamic systems. We employ skewness, kurtosis, and estimation plots to show that the conformational degree of freedom in the head group significantly amplifies the odd-even effect and may lead to enhanced or perturbed tunneling based on whether the head group is on an odd- or even-parity spacer.

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

Related Products of 2834-05-1. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Castor oil biorefinery: Conceptual process design, simulation and economic analysis. Author is Dimian, Alexandre C.; Iancu, Petrica; Plesu, Valentin; Bonet-Ruiz, Alexandra-Elena; Bonet-Ruiz, Jordi.

The paper presents the conceptual design of a castor oil biorefinery. Castor oil contains over 90% ricinoleic acid (12-hydroxy-9-octadecenoic) triglyceride, a versatile functional mol. Fatty Me ricinoleic ester (FAMRE) is the key building block. This can be valorised as biodiesel, but more profitable is making biochems., namely high-value polyamides. The goal is the conceptual design, simulation and economic anal. of a biorefinery processing 80 ktpy castor oil, equally shared between biodiesel and biochems. The process synthesis work is based on research papers and patents, supported by simulation with Aspen Plus . The biorefinery involves three plants: transesterification, pyrolysis and amination. Two innovative technologies are developed for transesterification, by heterogeneous catalysis in variable-time PFR and by homogeneous catalysis in reactive-extraction device. The reactors are simulated by employing detailed kinetics such that the ester composition fulfils the specifications set by the quality norms for biodiesel. Both methods result in compact and low energy processes, but the first delivers more valuable high-purity glycerol. FAMRE pyrolysis supplies heptanal, a valuable intermediate for specialties, and Me undecenoate, converted further to ω-aminoundecanoic acid. Energy saving of 77% is achieved by employing mech. vapor recompression. The amination is complex as chem. and processing, involving aqueous solutions and solids. The economic anal. estimates capital costs and min. product prices for 20% ROI. The performance and contribution of each process is highlighted. The bottleneck in design is the amination plant, capital-intensive and handling large amounts of process water. This stage makes necessary high equipment and energy costs but delivers a high-value monomer that boost the profitability. The result is that at equal throughput the biochems. bring 2.5 times more revenues than biodiesel. By a synergy effect, high-value biochems. sustain the profitability of commodity biodiesel, which in turn offers a broader market and secures stable revenues for farmers.

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

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Studies on structurally simple α,β-butenolides. II. (-)-(S)-γ-Hydroxymethyl-α,β-butenolide and derivatives from D-ribonolactone. Efficient synthesis of (-)-ranunculin, the main research direction is ribonolactone ethoxymethylene elimination; ranunculin total synthesis; butenolide hydroxymethyl preparation functionalization; condensation hydroxymethylbutenolide glucopyranosyl bromide; elimination ethoxymethyleneribonolactone.Application In Synthesis of (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one.

Acid-catalyzed cyclocondensation reaction of D-ribonolactone with (EtO)3CH in refluxing THF for 12 h followed by pyrolysis at 220° and 40 Torr gave 68% of the title butenolide (I; R = H) (II). The preparation of chiral derivatives of II, e.g. I (R = Me, PhCH2, Bu, Ph3C, Ac), is described. Condensation reaction of II with 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide in CHCl3 with stirring at room temp for 86 h gave 77% I (R = Q, R1 = Ac) which underwent deacetylation to give 85% (-)-ranunculin (I; R = Q, R1 = H).

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