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The ligand bis(diphenylphosphino)aniline (dppan) has been shown to be a versatile ligand sporting different coordination modes and geometries as dictated by copper(I) and the counter ion. The molecular structures of its Cu(I) complexes were characterized by X-ray crystallography. The ligand was found in a chelating mode and monomeric complexes were formed when the ligand to copper ratio was 2:1 and the anion was non-coordinating. However, with thiocyanate as the counter anion, the ligand was found to adopt two different modes, with one ligand chelating and the other acting as a monodentate ligand. With CuX (X = Cl, Br), dppan formed a tetrameric complex when the ligand and metal were reacted in the ratio of 1:1. But reactions containing ligand and metal in the ratios of 1:2 or 2:1, resulted in the formation of a mixture of species in solution. Crystallization however, led to the isolation of the tetrameric complex. Variable temperature 31P{1H} NMR spectra of the isolated tetramers did not show the presence of chelated structures in solution. Tetra-alkylammonium salts were added to solutions of various complexes of dppan and studied by 31P{1H} NMR to probe the effect of anions on the stability of complexes in solution. The Cu-dppan complexes were robust and did not interconvert with other structures in solution unlike the bis(diphenylphosphino)isopropylamine complexes.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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The present invention concerns substituted indoline derivatives, methods to prevent or treat dengue viral infections by using said compounds and also relates to said compounds for use as a medicine, more preferably for use as a medicine to treat or prevent dengue viral infections. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of dengue viral infections. The invention also relates to processes for preparation of the compounds.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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This work focuses on the systematic investigation of the influences of pyrimidine-based thioether ligand geometries and counteranions on the overall molecular architectures. A N-containing heterocyclic dithioether ligand 2,6-bis-(2-pyrimidinesulfanylmethyl)pyridine (L1) and three structurally related isomeric bis(2-pyrimidinesulfanylmethyl)-benzene (L2-L4) ligands have been prepared. On the basis of the self-assembly of CuX (X = I, Br, Cl, SCN, or CN) and the four structurally related flexible dithioether ligands, we have synthesized and characterized 10 new metal-organic entities, Cu 4(L1)2I4 1, Cu4(L1) 2Br4 2, [Cu2(L2)2I 2·CH3CN]n 3, [Cu(L3)I]n 4, [Cu(L3)Br]n 5, [Cu(L3)CN]n 6, [Cu(L4)CN]n 7, [Cu2(L4)I2]n 8, [Cu2(L4)(SCN) 2]n 9, and {[Cu6I5(L4) 3](BF4)·H2O}n 10, by elemental analyses, IR spectroscopy, and X-ray crystallography. Single-crystal X-ray analyses show that the 10 Cu(I) complexes possess an increasing dimensionality from 0D (1 and 2) to 1D (3-5) to 2D (6-9) to 3D (10), which indicates that the ligand geometry takes an essential role in the framework formation of the Cu(I) complexes. The influence of counteranions and pi-pi weak interactions on the formation and dimensionality of these coordination polymers has also been explored. In addition, the photoluminescence properties of Cu(I) coordination polymers 4-10 in the solid state have been studied.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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The new copper(I) coordination polymers polyl(di-mu 2-thiocyanato-N,S)-(mu2-2,5-dimethylpyrazine-N,N)] dicopper(I) (I) and poly[di-mu2-thiocyanato-N,S)-(mu 2-2,3-dimethyl-pyrazine-N,N)] dicopper(I) (II) were prepared by the reaction of copper(I) thiocyanate with 2,3- and 2,5-dimethylpyrazine in acetonitrile. In all compounds different CuSCN sub-structures are found which are connected by the dimethylpyrazine ligands to multi-dimensional coordination networks. The thermal properties of all compounds were investigated using simultaneous differential thermoanalysis (DTA), thermogravimetry (TG) and mass spectrometry (MS) as well as temperature resolved X-ray powder diffraction, On heating, compound I and II loose all of the dimethylpyrazine ligands in an endothermic reaction and transform directly into copper(I) thiocyanate. Optical investigations show two excited states for both compounds in absorption and in luminescence measurements which are both, MC and LMCT in character.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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Regiocontrol of allylic alkylation reactions involving hard nucleophiles remains a significant challenge and continues to be an active area of research. The lack of general methods in which alpha-alkylation is favored underscores the need for the development of new processes for achieving this type of selectivity. We report that Cu(I) catalyzes the allylic substitution of phosphorothioate esters with excellent alpha-regioselectivity, regardless of the nature of the Grignard reagent that is used. To the best of our knowledge, the Cu-catalyzed allylic alkylation of phosphorothioate esters has never been described. We have also developed a simple protocol for inducing high alpha selectivity starting from secondary allylic halides. This is accomplished by using sodium phosphorothioates as an additive.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 1111-67-7 is helpful to your research.

Chemistry graduates have much scope to use their knowledge in a range of research sectors, including roles within chemical engineering, chemical and related industries, healthcare and more. HPLC of Formula: CCuNS. Introducing a new discovery about 1111-67-7, Name is Cuprous thiocyanate, The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis.

The copper(i) iodide or copper(i) isothiocyanate complexes with 2,9-dimethyl-1,10-phenanthroline (dmp) and two interesting aminomethylphosphanes: P(CH2N(CH2CH2) 2O)3 (1) and novel P(CH2N(CH2CH 2)2S)3 (2): CuI(dmp)P(CH2N(CH 2CH2)2O)3 (1I), which was presented in our previous papers, CuI(dmp)P(CH2N(CH2CH 2)2S)3 (2I), CuNCS(dmp)P(CH 2N(CH2CH2)2O)3 (1T) and CuNCS(dmp)P(CH2N(CH2CH2)2S) 3 (2T) are discussed in this work. The chemical structures of three new complexes were determined in solution by means of NMR spectroscopy and in solid state using X-ray measurements. For all presented complexes the coordination geometry about the Cu(i) centre is pseudo-tetrahedral showing the small flattening and large rocking distortions. All compounds crystallize as the discrete dimers bound by pi-stacking interactions between dmp rings, which strongly depend on the phosphane ligand. Investigated complexes exhibit orange photoluminescence in the solid state of highly diversified intensity, position of the luminescence band and the lifetimes. On the basis of TDDFT calculations, the CT bands observed in UV-Vis spectra are assigned to the two mixed transitions from the CuX (X = I or NCS) bond with a small admixture of the CuP bond to pi* orbitals of the dmp ligand: (MX,MPR3)LCT. However, emission bands can be interpreted to be of (MX)LCT type.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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Utilization of Tin Halide as an absorber in Perovskite solar cells is immensely recognized as a substitute of lead halide absorber because of lead material?s toxicity. Also, Tin halide based Perovskites possess a potential for higher quantum efficiency because of their enhanced light absorption capability due to the wide-ranging absorption spectrum in the visible region with a comparatively lower bandgap of 1.3 eV than lead-based Perovskites. In the present work, glass/ transparent conductive oxide (TCO)/ titanium dioxide (buffer)/ tin halide Perovskite (Absorber)/ cuprous thiocyanate (HTM)/ Metal back solar cell structure has been designed and simulated by SCAPS software which yields Power Conversion Efficiency (PCE) of 28.32% and Fill Factor (FF) of 85.17%. The effect of total defect density, thickness, Valance Band Effective Density of States (VBEDS) and Conduction Band Effective Density of States (CBEDS) for an absorber layer has been analyzed. It has been observed that VBEDS variation has achieved PCE and FF to a significant extent i.e. up to 32.47% PCE and 85.86% FF.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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We report herein a straightforward access to alpha-[(diethoxyphosphoryl)difluoromethyl]thiolated ketones. The methodology, which involves the nucleophilic [Cu]CF2PO(OEt)2 species, has allowed the formation of the targeted compounds in moderate to high yields by using a simple procedure. This method represents a convenient alternative to the known approaches for the introduction of this emergent fluorinated motif.

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. A catalyst, does not appear in the overall stoichiometry of the reaction it catalyzes. you can also check out more blogs about Synthetic Route of 35212-85-2!, Application In Synthesis of Cuprous thiocyanate

Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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(Hetero)aryl, benzylic, and alkyl zinc halides were thiolated with N-thiophthalimides at 25 C within 1 h in the presence of 5?10 % Cu(OAc)2?H2O to furnish the corresponding polyfunctionalized thioethers in good yields. This electrophilic thiolation was extended to the introduction of trifluoromethylthio (SCF3), thiocyanate (SCN), and selenophenyl (SePh) groups. The utility of this method was shown in a seven-step synthesis of a potent cathepsin D inhibitor in 34 % overall yield.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”

 

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As a hole transporting material (HTM), N2,N2,N2?,N2?,N7,N7,N7?,N7?-octakis (4-methoxyphenyl) spiro [fluorene-9,9?-xanthene]-2,2?,7,7?-tetraamine (X60) in mesoscopic perovskite solar cells (PSCs) has been widely utilized for substitution of the 2,2?,7,7?-tetrakis (N,N-di-p-methoxyphenylamine)-9,9?-spiro-bi-fluorene (spiro-OMeTAD). In this study, we have introduced an ionic liquid N-butyl-N’-(4-pyridylheptyl) imidazolium bis (trifluoromethane) sulfonamide (BuPyIm-TFSI) as a p-dopant to increase the hole conductivity and stability of the X60 based perovskite solar cells. As a result, based on the different concentrations of BuPyIm-TFSI in mesoscopic PSCs, the optimal condition (4.85 mM) showed the best power conversion efficiency (PCE) of 14.65%, which is extremely higher than the device without BuPyIm-TFSI. Moreover, the device based on X60: BuPyIm-TFSI composite HTM at ambient conditions with humidity of ~40% exhibited good PSCs performance with the long-term stability of 840 h. Hence, the use of BuPyIm-TFSI as a p-dopant for X60 played a significant role in enhancing the electrical properties, stability and efficiency of PSCs.

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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”