Category: chiral-oxygen-ligands

Electric Literature of C5H7N. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Fractionation and identification of organic nitrogen species from bio-oil produced by fast pyrolysis of sewage sludge. Author is Cao, Jing-Pei; Zhao, Xiao-Yan; Morishita, Kayoko; Wei, Xian-Yong; Takarada, Takayuki.

Pyrolysis of sewage sludge was performed at 500° and a sweeping gas flow rate of 300 cm3/min in a drop tube furnace. Liquid fraction (i.e., bio-oil) from the sewage sludge pyrolysis was separated by silica-gel column chromatog. (SGCC) with different solvents, including mixed solvents, as eluants. Alkanenitriles (C13-C18), oleamide, alkenenitrile, fatty acid amides and aromatic nitrogen species were fractionated from the bio-oil by SGCC and analyzed with a gas chromatog./mass spectrometry (GC/MS). Most of the GC/MS-detectable organic nitrogen species (ONSs) are lactams, amides and N-heterocyclic compounds, among which acetamide is the most abundant. N-heterocyclics with 1-3 rings, including pyrrole, pyridine, indole, benzoimidazole, carbazole, norharman and harman, were observed The lactams detected include pyrrolidin-2-one, succinimide, phthalimide, glutarimide, piperidin-2-one and 3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, all of which should be formed via decarboxylation and cyclization of γ- and δ-amino acids. Such a procedure provides an effective approach to fractionation and identification of ONSs from bio-oil produced by fast pyrolysis of sewage sludge.

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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

Electric Literature of C6Cl2N4. 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 New fused nitrogen-rich heterocycles from 5,6-dichloropyrazine-2,3-dicarbonitrile. Author is Ried, Walter; Tsiotis, Georgios.

The reaction of the title compound with amines gave 34-82% pyrazines I (R = morpholino, piperidino, 1-pyrrolidinyl, Et2N, Me2N; RR = R1N(CH2)nNR1, R1 = Et, Ph, PhCH2, n = 2, R1 = Et, n = 3) and II (R2 = R3 = H, Me; R2 = H, R3 = Me, Cl; R2 = Me, R3 = Cl), which, upon treatment with N2H4, gave 25-61% III-V.

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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.Buurman, P.; Nierop, K. G. J.; Kaal, J.; Senesi, N. researched the compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ).Product Details of 616-43-3.They published the article 《Analytical pyrolysis and thermally assisted hydrolysis and methylation of EUROSOIL humic acid samples – A key to their source》 about this compound( cas:616-43-3 ) in Geoderma. Keywords: humic acid Eurosoil aliphaticity lignin. We’ll tell you more about this compound (cas:616-43-3).

Humic acids have been widely investigated by spectroscopic methods, especially NMR and FTIR, and they are known to show significant differences according to their origin. Low resolution methods such as NMR and FTIR, however cannot easily distinguish different input sources or establish relations between SOM chem. and vegetation or land use in general. High resolution methods, such as anal. pyrolysis and pyrolysis combined with methylation do offer such possibilities. Therefore, HAs from five reference soils called the Eurosoils, including a Vertic Cambisol (E1, Italy), a Rendzina (E2, Greece), a Dystic Cambisol (E3, Great Britain), an Orthic Luvisol (E4, France) and an Orthic Podzol (E5, Germany), that were previously characterized a.o. by NMR, FTIR and ESR, were also analyzed by pyrolysis-gas chromatog./mass spectrometry (Py-GC/MS) and thermally assisted hydrolysis and methylation (THM) and subsequent anal. by GC/MS. The Orthic Podzol sample showed the largest aliphaticity, and the strongest degradation of aliphatics and lignin. The Dystric Cambisol featured the least decomposed HA, which was reflected by a large content of long-chain alkanes, and little lignin degradation Both the Dystric Cambisol and the Orthic Luvisol HAs contained a significant amount of microbial organic matter. Polyaromatics, which indicate the presence of charred material, were most abundant in the Vertic Cambisol and the Podzol HAs and lowest in the Dystric Cambisol and the Rendzina HAs. THM was able to distinguish between the various vegetations/land uses. Although quantifications by NMR and py-GC/MS are essentially different, the general results largely coincided. NMR appears to underestimate aromaticity and overestimate aliphaticity, but a mol. mixing model yielded reasonable correlations between NMR and pyrolysis data. Classification by degradation state’ based on py-GC/MS largely coincided with acidity determined by titration, but FTIR data did not coincide. Py-GC/MS, with its much larger resolution, is a better tool to distinguish effects of vegetation, microbial input, and degradation HA’s produce the same variety of compounds upon pyrolysis as total SOM extracts and are therefore chem. not more simple than SOM. HA chem., however can be understood in the light of land use history and SOM dynamics.

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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

Kostka, Miroslav; Zimcik, Petr; Miletin, Miroslav; Klemera, Petr; Kopecky, Kamil; Musil, Zbynek published the article 《Comparison of aggregation properties and photodynamic activity of phthalocyanines and azaphthalocyanines》. Keywords: phthalocyanine preparation aggregation photodynamic property; azaphthalocyanine preparation aggregation photodynamic property.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile. 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.

Phthalocyanines (Pc) and their aza-analogs azaphthalocyanines (AzaPc) (tetrapyrazinoporphyrazines) with eight n-octylsulfanyl or tert-butylsulfanyl peripheral substituents and different central metals (Mg, Zn, metal-free) were synthesized. Dimerization constants Kd and absorption spectra of pure monomeric and dimeric magnesium complexes in toluene were calculated using series of absorbances at different concentrations The bulky tert-butylsulfanyl substituents were found to be much better inhibitors of aggregation than long alkyl chains. Also Pc are less aggregated in organic solvents then AzaPc, short explanation is given. Singlet oxygen production of Pc and AzaPc was compared using dye-sensitized photooxidation of 1,3-diphenylisobenzofuran in pyridine. Both Pc and AzaPc showed similar activity not dependent on type of peripheral substitution. Zinc complexes of both Pc and AzaPc exceeded the magnesium ones and metal-free dyes in singlet oxygen production approx. twice.

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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: cis-4-Aminocyclohexane carboxylic acid( cas:3685-23-2 ) is researched.Product Details of 3685-23-2.Biancalana, Lorenzo; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido published the article 《Serendipitous Formation of a Zwitterionic Imidazolium Molecule from α-Diimine with Glyoxal as Unusual Cyclization Agent》 about this compound( cas:3685-23-2 ) in ChemistrySelect. Keywords: bis carboxycyclohexyl imidazole preparation; aminocyclohexane carboxylic acid glyoxal cyclization. Let’s learn more about this compound (cas:3685-23-2).

The serendipitous discovery of the unprecedented route to a zwitterionic imidazolium mol. with the two nitrogen atoms substituted with 4-cyclohexanecarboxylic acid was reported. To build the five-membered ring, glyoxal played the double role of source for C2 and unusually C1 units, the latter via thermal decomposition afforded carbon monoxide as side-product. The product was characterized by elemental anal., multinuclear NMR, IR and ESI-MS spectroscopy.

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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

El Moll, Hani; Black, Fiona A.; Wood, Christopher J.; Al-Yasari, Ahmed; Reddy Marri, Anil; Sazanovich, Igor V.; Gibson, Elizabeth A.; Fielden, John published the article 《Increasing p-type dye sensitised solar cell photovoltages using polyoxometalates》. Keywords: dye sensitized solar cell polyoxometalate photovoltage.They researched the compound: cis-4-Aminocyclohexane carboxylic acid( cas:3685-23-2 ).SDS of cas: 3685-23-2. 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:3685-23-2) here.

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

Category: chiral-oxygen-ligands. 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. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Low-Power Laser Ignition of an Antenna-Type Secondary Energetic Copper Complex: Synthesis, Characterization, Evaluation, and Ignition Mechanism Studies.

In recent years, development of new energetic compounds and formulations, suitable for ignition with relatively low-power lasers, is a highly active and competitive field of research. The main goal of these efforts is focused on achieving and providing much safer solutions for various detonator and initiator systems. In this work, a new laser-ignitable compound, based on the 5,6-bis(ethylnitroamino)-N′2,N′3-dihydroxypyrazine-2,3-bis(carboximidamide) (DS3) proligand is prepared, characterized, and thermal and ignition properties are studied. This new energetic proligand was prepared in three steps, starting with 5,6-bis(ethylamino)-pyrazine-2,3-dicarbonitrile. Crystallog. studies of the DS3-derived Cu(II) complex (DS4) revealed a unique stacked antenna-type structure of the latter compound DS4 has an exothermal temperature of 154.5° and was calculated to exhibit a velocity of detonation of 6.36 km·s-1 and a detonation pressure of 15.21 GPa. DS4 showed properties of a secondary explosive, having sensitivity to impact, friction, and electrostatic discharge of 8 J, 360 N, and 12 mJ, resp. In order to study the mechanism of ignition by a laser (using a diode laser, 915 nm), a set of experiments are conducted that enabled to characterize a photothermal ignition mechanism. Furthermore, it was found that a single pulse, with a time duration of 1 ms and with a total energy of 4.6 mJ, was sufficient for achieving a consistent and full ignition of DS4. Dual-pulse experiments, with variable time intervals between the laser pulses, showed that DS4 undergoes ignition via a photothermal mechanism. Finally, calculating the chem. mechanism of the formation of the complex DS4 and modeling its anhydrous and hydrated crystal structures (d. functional theory calculations using Gaussian and HASEM software) allowed to pinpoint a more precise location of water mols. in exptl. crystallog. data. These results suggest that DS4 has potential for further development to a higher technol. readiness level and for integration into small-size safe detonator systems as for many civil, aerospace, and defense applications.

There is still a lot of research devoted to this compound(SMILES：N#CC1=NC(Cl)=C(Cl)N=C1C#N)Category: chiral-oxygen-ligands, and with the development of science, more effects of this compound(56413-95-7) can be discovered.

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 《Hydrogenation of pyridine and α-picoline over Raney nickel-aluminum catalyst》. Authors are Shuikin, N. I.; Brusnikina, V. M..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Recommanded Product: 616-43-3. Through the article, more information about this compound (cas:616-43-3) is conveyed.

Hydrogenation of pyridine at 200° in a flow system over Raney Ni-Al catalyst gave piperidine, its azeotropic mixture with H2O (b739 90-2°, n20D 1.4320, d20 0.9277), and 2-methylpyridine. At low feed rate there was also formed some 3-methylpyrrole, 10% 2-propylpiperidine, and possibly some N-cyclopentylpiperidine. Hydrogenation of 2-picoline gave 2-pipecoline and some 3-methylpyrrole.

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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.Computed Properties of C7H13NO2.

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

Synthetic Route of C6Cl2N4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Synthesis of pyrido[1′,2′:1,2]imidazo[4,5-b]pyrazines from 2-amino-3-chloro-5,6-dicyanopyrazine with substituted pyridines. Author is Mitsuhashi, Keiryo; Nagae, Yasushi; Suzuki, Toshinobu.

Novel synthesis of the title compounds by the cyclization between 2-amino-3-chloro-5,6-dicyanopyrazine (I) and various substituted pyridines is described. E.g., heating I with pyridines II (R = Me, Pr, Me3C, PhCH2, CONH2, CO2Me, Ph, 2-pyridyl) in DMF at 90° for 48 h gave 14-72% pyridoimidazopyrazines III.

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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