Month: April 2022

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: 1452-77-3, is researched, Molecular C6H6N2O, about Phase Transfer Ceria-Supported Nanocatalyst for Nitrile Hydration Reaction, the main research direction is ceria supported rare earth metal oxide preparation characterization; nitrile hydration reaction phase transfer catalyst.Formula: C6H6N2O.

The present study elaborates the catalytic effect of rare-earth metal oxides (Sm2O3 and La2O3) over ceria as a support phase transfer catalyst. The synthesized catalysts have been subjected to different characterization techniques, such as field-emission SEM, high-resolution transmission electron microscopy, powder X-ray diffraction, N2 adsorption-desorption (BET surface anal.), temperature-programmed desorption study (NH3/CO2-TPD), Fourier transform IR, Raman anal., and XPS to get better insights into the catalytic activity of the catalysts for hydration of nitrile.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Computed Properties of C11H23Br. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Bromoundecane, is researched, Molecular C11H23Br, CAS is 693-67-4, about A simple and efficient approach for the synthesis of a novel class aliphatic 1,3,4-thiadiazol-2(3H)-one derivatives via intramolecular nucleophilic substitution reaction. Author is Tahtaci, Hakan; Aydin, Gozde.

In this study, a new series of substituted 1,3,4-thiadiazol-2(3H)-one derivatives I [R = Et, CH2CH=CH2, cyclohexylmethyl, etc.] was synthesized in yields ranging from 42 to 70% via reaction of alkyl bromides with 1-(4-chlorophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanol with an interesting mechanism that involved internal nucleophilic substitution followed by an SN2-type nucleophilic substitution. First, 1-(4-chlorophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanone was synthesized from the reaction of 5-methyl-1,3,4-thiadiazole-2-thiol with 2-bromo-1-(4-chlorophenyl)ethanone which underwent reduction to afford 1-(4-chlorophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanol. The advantages of this protocol were synthesis of target compounds under mild conditions using simple synthetic methods and obtaining them without phosgene.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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: 15227-42-6, is researched, SMILESS is [Cl-][Pt+2]([N]1=CC=CC=C1)([Cl-])[N]2=CC=CC=C2, Molecular C10H10Cl2N2PtJournal, Canadian Journal of Chemistry called Multinuclear solid-state NMR of square-planar platinum complexes – Cisplatin and related systems, Author is Lucier, Bryan E. G.; Reidel, Alex R.; Schurko, Robert W., the main research direction is platinum complex solid state NMR.HPLC of Formula: 15227-42-6.

Multinuclear solid-state NMR (SSNMR) experiments were performed on cisplatin and four related square-planar compounds The wideband uniform rate smooth truncation-Carr-Purcell-Meiboom-Gill (WURST-CPMG) pulse sequence was used in NMR experiments to acquire 195Pt, 14N, and 35Cl ultra-wideline NMR spectra of high quality. Standard Hahn-echo and magic-angle spinning 195Pt NMR experiments are also performed to refine extracted chem. shielding (CS) tensor parameters. Platinum magnetic shielding (MS) tensor orientations are calculated using both plane-wave d. functional theory (DFT) and standard DFT methods. The tensor orientations are highly constrained by mol. symmetry elements, but also influenced to some degree by intermol. interactions. 14N WURST-CPMG experiments were performed on three compounds and elec. field gradient (EFG) parameters (the quadrupolar coupling constant, Cq, and the asymmetry parameter, ηq) are reported. First principles calculations of the 14N EFG tensor parameters and orientations and affirm their dependence on the local hydrogen bonding environment. 35Cl WURST-CPMG experiments on cisplatin and transplatin are reported, using two different static magnetic fields to extract EFG and CS tensor parameters, and 35Cl EFG tensor magnitudes and orientations are predicted using 1st principles calculations Transverse (T2) relaxation data for all nuclei were used to study heteronuclear dipolar relaxation mechanisms, as well as the nature of the local hydrogen bonding environments.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Electric Literature of C10H10Cl2N2Pt. 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: cis-Dichlorobis(pyridine)platinum(II), is researched, Molecular C10H10Cl2N2Pt, CAS is 15227-42-6, about Platinum(II) complexes in the catalytic hydrosilylation of acetophenone. Kinetics of the reaction and the effect of ligands. Author is Lasitsa, N. A.; Skvortsov, N. K.; Lobadyuk, V. I.; Spevak, V. N.; Esina, G. A.; Abramova, I. P.; Lazarev, S. Ya..

A kinetic study of hydrosilylation of MeCOPh with MeSiHCl2 or MeSiPhH2 in the presence of LL1PtX2 (X = Cl, Br; L = L1 = Me2SO, Et2SO, py, Et3P, MeSOC6H4Me-4; L = C2H4, L1 = Me2SO, Et2SO; L = py, L1 = Et2SO; L = MeSOC6H4Me-4, L1 = Bu3P) catalysts showed a relationship between the ligand type and catalytic activity. In contrast with bis(phosphine) and bis(olefin) complexes, bis(sulfoxide) complexes and all complexes with mixed ligands, one of which is sulfoxide, show high catalytic activity. For the reaction with MeSiHCl2, the order of reactivity is olefin > SO > P(III) > py, close to an analogous relationship for the hydrosilylation of olefins.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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: 1-Bromoundecane, is researched, Molecular C11H23Br, CAS is 693-67-4, about Developing design tools for introducing and tuning structural order in ionic liquids.Application of 693-67-4.

To investigate what is driving structural order in imidazolium-based ionic liquids (ILs) a series of asym. 1-dodecyl-2-methyl-3-alkylimidazolium bromides I [R = H, Me, n-Bu, etc.] was synthesized, fully characterized and their structures and properties compared with the analogous 1-dodecyl-3-alkylimidazolium as well as the 1,2,3-triazolium bromides. The aim was to examine the influence of the replacement of the most acidic 2-H proton on the imidazolium head group by methylation on the properties and structure of ILs. For all compounds, except for compounds with butyl- and hexyl-chains as well as the protonated species, mesophase formation was observed Obviously, the simple presence of long alkyl chains such as dodecyl (a design concept frequently put forward in the literature) was not sufficient to support mesophase formation alone. Rather, for the formation of a liquid crystalline phase, a balance between attractive van der Waals forces, hydrogen bonds, and electrostatic interactions was required. Data from temperature-dependent small-angle X-ray scattering (SAXS) and polarizing optical microscopy (POM) suggested three different cation conformations for the studied compounds I: cations with 0 ≤ n ≤ 4 exhibited a near-linear conformation; for 5 ≤ n ≤ 10 a V-shape is adopted, and for n = 11 or 12 a U-shape was found. It was demonstrated that the structural possibility for an interdigitation of the long chains is an influential factor for the formation of a mesophase.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Product Details of 1452-77-3. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Synergistic Photocatalytic-Adsorption Removal of Basic Magenta Effect of AgZnO/Polyoxometalates Nanocomposites. Author is Tian, Heyun; Luo, Jie; Zhang, Ke; Ma, Chenguang; Qi, Yiyi; Zhan, Shixia; Liu, Xiao; Li, Mingxue; Liu, Hongling.

The bifunctional photocatalytic-adsorbent AgZnO/polyoxometalates (AgZnO/POMs) nanocomposites were synthesized by combining AgZnO hybrid nanoparticles and polyoxometalates [Cu(L)2(H2O)]H2[Cu(L)2(P2Mo5O23)]·4H2O (HL = C6H6N2O) into nanostructures via a sonochem. method. Transmission electron microscopy (TEM) indicated that AgZnO/POMs nanocomposites were uniform with narrow particle size distribution and without agglomeration. X-ray powder diffraction (XRD) and XPS anal. confirmed the nanostructure and composition of AgZnO/POMs nanocomposites. The UV-visible spectra (UV-Vis) and photoluminescence spectra (PL) confirmed excellent optical properties of the AgZnO/POMs nanocomposites. 94.13% ± 0.61 of basic magenta (BM) in aqueous solution could be removed using the AgZnO/POMs nanocomposites through adsorption and photocatalysis. The kinetic anal. showed that both the adsorption and photocatalysis process conform to pseudo-second-order kinetics. In addition, the removal rate of AgZnO/POMs nanocomposites was found to be almost unchanged after 5 cycles of use. The bifunctional photocatalytic-adsorbent AgZnO/POMs nanocomposites with high stability and cycling performance have broad application prospects in the treatment of refractory organic dye wastewater containing triphenylmethane.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Guerriero, Antonella; Peruzzini, Maurizio; Gonsalvi, Luca published the article 《Synthesis of New Ruthenium-CAP Complexes and Use as Catalysts for Benzonitrile Hydration to Benzamide》. Keywords: ruthenium triazaphosphatricyclotridecane complex preparation hydration catalyst.They researched the compound: Picolinamide( cas:1452-77-3 ).Synthetic Route of C6H6N2O. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:1452-77-3) here.

The new bimetallic [Ru2(μ-Cl)3(CAP)6]Cl (1) and monometallic cis,cis,trans-[RuCl2(dmso-S)2(CAP)2] (2) complexes, bearing the water soluble cage-like phosphine CAP (1,4,7-triaza-9-phosphatricyclo[5.3.2.1]tridecane), were synthesized and characterized in solution by NMR spectroscopy and ESI-MS spectrometry. The complexes, endowed with high solubility and stability in water, were applied as catalysts for the proof-of-concept hydration of benzonitrile to benzamide in neat water at 100°C, achieving high conversions with only 1 mol % of catalyst, both in single runs and in catalyst recycling experiments

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Civati, Francesco; Svoboda, Vaclav; Urwin, Stephanie Jane; McArdle, Patrick; Erxleben, Andrea; Croker, D.; ter Horst, Joop published an article about the compound: Picolinamide( cas:1452-77-3,SMILESS:O=C(N)C1=NC=CC=C1 ).Quality Control of Picolinamide. 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:1452-77-3) through the article.

A cooling crystallization of HOBz and isonicotinamide in EtOH yields the 1:1 cocrystal with an extreme needle-like morphol. with an initial mean aspect ratio of ~10 and a size of ~64μm. The use of suspension temperature cycling in combination with tailor-made additives alleviates such extreme needle-like morphols. and increases the average particle size of this cocrystal material. Temperature cycling of the cocrystal suspensions in EtOH alone reduces the mean aspect ratio from 10 to 3.3 while it increases the average crystal size from 64 to 450μm. The further addition of low concentrations of benzamide or nicotinamide suppresses the growth rate at the tip of the needle even more, resulting in a more favorable equant morphol. An iterative mechanism in which additives are incorporated in the lattice structure and released during the temperature increase in each cycle is proposed. Thus, the incorporation of an additive at the normally fast growing and potential needle tips and its release during the temperature increase part of the cycle effectively makes an additive action catalytic. The simultaneous use of temperature cycling and tailor-made additives offers a new and effective approach for the elimination of unsatisfactory needle-like crystal morphologies and a small crystal size during the production of a pharmaceutical cocrystal material. The simultaneous use of temperature cycling and tailor-made additives offers a new and effective approach for morphol. control of a pharmaceutical cocrystal.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Safety of 1-Bromoundecane. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-Bromoundecane, is researched, Molecular C11H23Br, CAS is 693-67-4, about Mn(II) and Zn(II) complexes of a benzimidazole ligand having undecyl chains: Crystal structures, photophysical and thermal properties. Author is Kirpik, Hilal; Kose, Muhammet.

A new tridentate benzimidazole ligand (L-C11) containing undecyl chains and its Mn(II) and Zn(II) complexes were synthesized and characterized by spectroscopic and anal. methods. Mol. structures of complexes [Mn(L-C11)Cl2] and [Zn(L-C11)Cl2] were evaluated by x-ray diffraction studies. The x-ray data showed metal ions in both complexes are five-coordinate with distorted square pyramidal geometry around the metal centers. The undecyl chains in the structure of the complexes are aligned in an interdigitated manner (head to tail) forming a non-polar domain. The aggregation properties of the ligand and its complexes were studied by UV-visible absorption and emission spectroscopies in DMF-water mixtures The emission spectral data revealed that the compounds showed aggregation induced quenching (AIQ) in DMF-water solutions Moreover, thermal properties of the compounds were studied by TG, DTG and DSC anal.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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.Evora, Antonio O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Ramos Silva, M.; Canotilho, Joao; Eusebio, M. Ermelinda S. researched the compound: Picolinamide( cas:1452-77-3 ).Computed Properties of C6H6N2O.They published the article 《Lamotrigine: Design and synthesis of new multicomponent solid forms》 about this compound( cas:1452-77-3 ) in European Journal of Pharmaceutical Sciences. Keywords: lamotrigine multicomponent solid forms; Co-crystals and salts; Diflunisal; Lamotrigine; Pyridinecarboxamides; Stability assay; Xanthines. We’ll tell you more about this compound (cas:1452-77-3).

In this work, a crystal engineering and thermodn. based approach has been used aiming at contributing to a deeper knowledge of lamotrigine multicomponent solid forms. Two types of co-mols. have been chosen that can give rise to co-crystals with lamotrigine through different supramol. heterosynthons: the xanthines, theophylline and caffeine, and the three isomeric pyridinecarboxamides. Association with diflunisal, which may result in a salt, was also investigated. Mechanochem., differential scanning calorimetry, thermogravimetry, X-ray powder and single crystal diffraction, IR spectroscopy were the methods used. For all the systems, exploratory neat mechanochem. experiments, carried out on lamotrigine + co-mol. binary mixtures of different compositions, were not successful in promoting association From differential scanning calorimetry data and the binary solid-liquid phase diagrams, co-crystals/salts were identified as well as their resp. stoichiometry, and a methodol. of synthesis was established. For pyridinecarboxamides, mol. recognition is dependent on the position of the amide group in the pyridine ring: co-crystallization did not occur with picolinamide co-former. Both xanthines form co-crystals with lamotrigine, (1:1) with theophylline and (2:1) lamotrigine:caffeine. Addnl., the crystalline structure of a lamotrigine:theophylline 1:1 monohydrate was solved. The (1:1) lamotrigine:theophylline co-crystal converts to this monohydrate in accelerated stability tests. A (1:1) lamotrigine:diflunisal salt was identified, which proved to be stable in accelerated stability assays.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem