Category: chiral-oxygen-ligands

Category: chiral-oxygen-ligands. 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: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Mixing Chromophores: Donor-Acceptor Dyes with Low-Lying LUMOs and Narrow Band Gaps by Connecting 4-Alkoxythiazoles and Azaacenes. Author is Gampe, Dominique Mario; Haensch, Veit Georg; Schramm, Stefan; Menzel, Roberto; Weiss, Dieter; Beckert, Rainer.

The synthesis and characterization of novel donor-acceptor (D-A) type functional dyes is presented. The materials studied are based on the 4-alkoxythiazole structure containing one of three arylamine donor units and one of three acceptor building blocks. The nine dyes were characterized with respect to their photo- and electrochem. properties based on UV/Vis absorption and fluorescence emission spectroscopy, and cyclic voltammetry. D. functional theory calculations were carried out to support these studies. The building blocks used brought their characteristics into the final target structures: the reversible oxidation and electron-donating properties of diarylamines, the high fluorescence quantum yields of 4-alkoxythiazoles, and the low-lying LUMOs of tetraazaanthracenes. Furthermore, by introducing tetraazaanthracenes as the acceptor moiety, narrow band gaps of 1.1 and 0.7 eV were estimated electrochem.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Jaung, Jae-Yun; Matsuoka, Masaru; Fukunishi, Koushi published the article 《Dicyanopyrazine studies. part IV: syntheses and solid state absorption spectra of new dicyanopyrazine dyes derived from dichlorodicyanopyrazine and Fischer’s type bases》. Keywords: dye dicyanopyrazine preparation spectra MO.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Computed Properties of C6Cl2N4. 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:56413-95-7) here.

2-Chloro-5,6-dicyano-3-[2-(1,3,3-trimethylindolinylidene)methyl]pyrazine showed large differences in λmax from solution to the solid state resulting from strong intermol. π-π interactions. Related derivatives were synthesized by the nucleophilic substitution of 2,3-dichloro-5,6-dicyanopyrazine with various Fischer’s base type enamines. Absorption spectra, fluorescent properties and other phys. properties were correlated with their chem. structures. The PPP MO and MOPAC approach to evaluate their absorption spectra correlate with their conformations were conducted. Good correlation between the calculated and the exptl. results were obtained. The substituent effects of dicyanopyrazines affecting their chem., electronic, and phys. properties were also studied.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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.El Moll, Hani; Black, Fiona A.; Wood, Christopher J.; Al-Yasari, Ahmed; Reddy Marri, Anil; Sazanovich, Igor V.; Gibson, Elizabeth A.; Fielden, John researched the compound: cis-4-Aminocyclohexane carboxylic acid( cas:3685-23-2 ).Computed Properties of C7H13NO2.They published the article 《Increasing p-type dye sensitised solar cell photovoltages using polyoxometalates》 about this compound( cas:3685-23-2 ) in Physical Chemistry Chemical Physics. Keywords: dye sensitized solar cell polyoxometalate photovoltage. We’ll tell you more about this compound (cas:3685-23-2).

Lindqvist polyoxometalate (POM) additives increase VOC in p-type DSSCs by up to 140%, yielding substantial efficiency gains for poorly matched dyes and redox mediators. For better dye/electrolyte combinations, these gains are typically outweighed by losses in JSC. Charge lifetime and transient IR measurements show that this is due to retardation of both recombination and electron transfer to the mediator, and a pos. shift in the NiO valence band edge. The POMs also show their own, limited sensitizing effect.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Intermediate pyrolysis and product identification by TGA and Py-GC/MS of green microalgae and their extracted protein and lipid components, the main research direction is TGA PyGC MS green microalgae extracted protein lipid component; intermediate pyrolysis product identification TGA.Reference of 3-Methyl-1H-pyrrole.

The thermo-chem. conversion of green microalgae Chlamydomonas reinhardtii wild type (CCAP 11/32C), its cell wall deficient mutant C. reinhardtii CW15+ (CCAP 11/32CW15+) and Chlorella vulgaris (CCAP 211/11B) as well as their proteins and lipids was studied under conditions of intermediate pyrolysis. The microalgae were characterized for ultimate and gross chem. composition, lipid composition and extracted products were analyzed by Thermogravimetric anal. (TG/DTG) and Pyrolysis-gaschromatog./mass-spectrometry (Py-GC/MS). Proteins accounted for almost 50% and lipids 16-22 % of dry weight of cells with little difference in the lipid compositions between the C. reinhardtii wild type and the cell wall mutant. During TGA anal., each biomass exhibited three stages of decomposition, namely dehydration, devolatilization and decomposition of carbonaceous solids. Py-GC/MS anal. revealed significant protein derived compounds from all algae including toluene, phenol, 4-methylphenol, 1H-indole, 1H-indole-3methyl. Lipid pyrolysis products derived from C. reinhardtii wild type and C. reinhardtii CW15+ were almost identical and reflected the close similarity of the fatty acid profiles of both strains. Major products identified were phytol and phytol derivatives formed from the terpenoid chain of chlorophyll, benzoic acid alkyl ester derivative, benzenedicarboxylic acid alkyl ester derivative and squalene. In addition, octadecanoic acid octyl ester, hexadecanoic acid Me ester and hydrocarbons including heptadecane, 1-nonadecene and heneicosane were detected from C. vulgaris pyrolyzed lipids. These results contrast sharply with the types of pyrolytic products obtained from terrestrial lignocellulosic feedstocks and reveal that intermediate pyrolysis of algal biomass generates a range of useful products with wide ranging applications including bio fuels.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile(SMILESS: N#CC1=NC(Cl)=C(Cl)N=C1C#N,cas:56413-95-7) is researched.Synthetic Route of C6Cl2N4. The article 《The synthesis and cyclotetramerisation reactions of aryloxy-, arylalkyloxy-substituted pyrazine-2,3-dicarbonitriles and spectroelectrochemical properties of octakis(hexyloxy)-pyrazinoporphyrazine》 in relation to this compound, is published in Dyes and Pigments. Let’s take a look at the latest research on this compound (cas:56413-95-7).

Novel, aryloxy- and arylalkyloxy-substituted pyrazine dicarbonitriles were synthesized from 5,6-dichloropyrazine-2,3-dicarbonitrile and the corresponding phenol/alc. derivatives Cyclotetramerisation of these pyrazine derivatives to form metal pyrazinoporphyrazines in the presence of appropriate metal salts in different solvents such as DMF, quinoline, 2-dimethylaminoethanol and n-hexanol, resulted in decomposition products with the exception of the latter solvent which lead to mainly octakis(alkyloxy)pyrazinoporphyrazines. Cyclic voltammetry and differential pulsed voltammetry of the complexes indicated that cobalt pyrazinoporphyrazine displayed both ligand and metal-based redox processes while zinc and copper derivatives exhibited only ligand-based redox processes. The redox processes of the pyrazinoporphyrazines shifted significantly towards pos. potentials compared to those of the common phthalocyanines. The novel compounds were characterized using elemental anal. and spectral techniques.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ) is researched.Name: 3-Methyl-1H-pyrrole.Yuzhakova, O. A.; Kurkovskaya, L. N.; Shapet’ko, N. N.; Potapov, V. K.; Shatenshtein, A. I. published the article 《Delayed exchange of hydrogen in imine groups of pyrrole and indole》 about this compound( cas:616-43-3 ) in Teoreticheskaya i Eksperimental’naya Khimiya. Keywords: imine ethanol hydrogen exchange; pyrrole ethanol hydrogen exchange; indole ethanol hydrogen exchange; ionization potential indole pyrrole. Let’s learn more about this compound (cas:616-43-3).

The rate of H-D exchange between EtOD and pyrrole (I) or indole (II) in CCl4 was measured by NMR, and the rate constants were calculated from the 1st-order rate equation. The H exchange in NH groups of unsubstituted 5 membered heterocycles in the absence of an electron-donating solvent was slow. The photoionization potentials, Ip, of I, N-methylpyrrole (III), α-methylpyrrole (IV), and β-methylpyrrole were measured. The highest and the smallest Ip change was observed on passing from I to IV, and from I to III, resp. The probable structures of I complexes and I complexes with the alc. were suggested together with the causes of slow H exchange.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals of cis-4-Aminocyclohexanecarboxylic Acid with Water and Oxalic Acid.Reference of cis-4-Aminocyclohexane carboxylic acid.

The current contribution aims to study the stability of commonly occurring motifs present in certain amino acid structures after introducing addnl. mols. to form multicomponent crystals. The crystal structures of the amino acid cis-4-aminocyclohexanecarboxylic acid hemihydrate I and dehydrate II forms and that of its oxalate salt cocrystd. with oxalic acid III, were studied employing a combination of techniques. Both single-crystal and powder x-ray diffraction were used to solve the structures, while temperature-control powder X-ray diffraction was used to follow the dehydration of I. Regardless of the added mols. that induce modifications of the intermol. interactions within the crystals, some recurring supramol. structures were identified: double head to tail dimers, graph symbol R22(16), and ribbons, graph symbol R22(16)R34(10). Stabilities of these supramol. motifs were studied using theor. modeling with DFT/B3LYP/6-31++G (d,p) and PM6-D2H calculations The theor. calculations reproduced the exptl. findings, confirming the extraordinary stability of these motifs. The mol. recognition of amino acid pairs to form double head to tail-dimers is undoubtedly the initial driving force for the crystal formation in all the three crystals studied.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The protonation of pyrroles》. Authors are Chiang, Y.; Whipple, E. B..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).COA of Formula: C5H7N. Through the article, more information about this compound (cas:616-43-3) is conveyed.

Formation of stable α-protonated salts of pyrrole and methylpyrroles in aqueous H2SO4 is demonstrated by their proton magnetic resonance spectra. The observed rates of deuterium exchange in N-methylpyrrole require, however, that β-protonation of the base occur at the faster rate in concentrated H2SO4 solutions The basicity constant of pyrrole is redetermined as pKa = -3.8, considerably below the currently accepted value, and the variation of the ratio of protonated to unprotonated base with H2SO4 concentrations, while self-consistent within the methylpyrrole series, differs from previously defined class acidity functions. The basicity constants vary with Me substitution in a semi-empirically predictable manner.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about A Multifunctional Reagent Designed for the Site-Selective Amination of Pyridines, the main research direction is Boc protected aminopyridine chemoselective regioselective preparation; pyridine tert butyl chloro dicyanopyrazinyl oxy carbamate amination.Computed Properties of C6Cl2N4.

The development of a multifunctional reagent for the direct conversion of pyridines to Boc-protected 2-aminopyridines such as I [R = H, 3-Br, 4-Ph, etc.] with exquisite site selectivity and chemoselectivity was reported. The novel reagent was prepared on 200g scale in a single step, reacted in title reaction under mild conditions without precautions toward air or moisture, and is tolerant of nearly all common functionality. Exptl. and in situ spectroscopic monitoring techniques provided detailed insights and unexpected findings for the unique reaction mechanism.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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, Journal of Molecular Spectroscopy called Analysis of the NMR spectrum of 3-methylpyrrole, Author is Fukui, H.; Shimokawa, S.; Sohma, J.; Twadare, T.; Esumi, N., which mentions a compound: 616-43-3, SMILESS is CC1=CNC=C1, Molecular C5H7N, Recommanded Product: 616-43-3.

Earlier work (F., S., S., 1970) on pyrrole and on its 2-derivatives is extended to 3-methylpyrrole. Observed and simulated spectra are shown for the N-decoupled spectra at 60 MHZ, and for the N-H proton in which the 14N nucleus and Me protous were decoupled and the 5-proton was perturbed. The chem. shills and coupling constants are tabulated. The best simulated spectrum is a 7-spin system. The compound was dissolved in acetone-d, with Me4Si as internal reference

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate