Month: April 2022

Recommanded Product: 3-Methyl-1H-pyrrole. 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 The transferability of the dynamic correlation energy in conjugated molecules. Author is Colle, Renato; Curioni, Alessandro.

The dynamic correlation energy of the ground state of organic conjugated mols., calculated using the Colle-Salvetti functional, has been decomposed into fragment contributions obtained by integrating the functional inside sep. fragment volumes defined as proposed by Bader. It is shown that these contributions, properly renormalized, can be utilized for predicting in a satisfactory way the total correlation energy of oligomers obtained by condensation of pyrrole and methane mols.

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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

Recommanded Product: cis-4-Aminocyclohexane carboxylic acid. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Hydrogenation of 4-aminobenzoic acid on catalysts of the platinum group. Author is Litvin, E. F.; Freidlin, L. Kh.; Oparina, G. K.; Gurskii, R. N.; Istratova, R. V.; Gosteva, L. I..

The rate of 4-H2NC6H4-CO2H hydrogenation to cis-4-aminocyclohexanecarboxylic acid and isomerization of the latter to the trans acid at 90-170° and 80 atm increased in the order of catalysts Pd ∼ Pt < Ru ≪ Rh and was higher with metal on C than with metal black; these reaction rates decreased in the order of solvents H2O > dioxane > EtOH > Me2SO > cyclohexylamine, and with Ru/C and Rh/C, decreased in the order of mineral acids H2SO4 > H3PO4 > HCl. At 90° the product stereochem. was determined by the reduction mechanism, and not by the rate of the secondary isomerization; the cis-trans ratio decreased in the order Ru > Rh > Pt > Pd.

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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

Computed Properties of C7H13NO2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Triazine-Cored Lanthanide-Based Metal-Organic Frameworks Featuring Unique Water Chains and Strong Characteristic Emissions. Author is Han, Shu-Guo; Zhang, Yu-Xiao; Cheng, Jin-Tian; Wu, Xin-Tao; Zhu, Qi-Long.

A new triazine-cored tricarboxylic acid, N,N’,N”-1,3,5-triazine-2,4,6-triyltris(cis-4-aminocyclohexane-carboxylicacid)(H3L), was prepared by replacing the chlorine atoms of cyanuric chloride with cis-4-aminocyclohexane-carboxylic acid, which was used for the construction of a series of triazine-cored lanthanide-based metal-organic frameworks (MOFs). All these MOFs were structurally authenticated, revealing that they are isostructural and exist as two-dimensional (2D) coordination networks with the general formula [Ln(L)(H2O)2]·5.5 H2O (Ln = 1·Gd, 2·Tb, 3·Eu). A unique one-dimensional water chain, composed of primary tetrameric cyclic rings and dodecameric cyclic rings, was found entrapped in the lattice. Moreover, all these compounds display bright characteristic photoluminescence. Particularly, for 1, apart from the strong blue emission peak (Φf = 20.6 %) corresponding to the intraligand transition under near-UV excitation, the characteristic emissions of Gd3+ cation (Φf = 5.0 %) were unexpectedly observed upon excitation at 273 nm.

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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

COA of Formula: C5H7N. 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: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Electrochemical properties and conductivity of poly(3-methylpyrrole/ClO4). Author is Gonzalez-Tejera, M. J.; Sanchez de la Blanca, E.; Carrillo, I.; Redondo, M. I.; Raso, M. A.; Tortajada, J.; Garcia, M. V..

Electrosynthesis of conducting poly(3-methylpyrrole) was carried out at fixed potentials of 0.5 and 0.6 V in a NaClO4 MeCN solution The electrochem. behavior of doped-polymer films was analyzed considering the influence of the neg. and pos. potential limits as well as the scan rate on the voltammograms recorded in MeCN. A mechanism for the redox processes is proposed. Polymer morphol. was examined by SEM, which reveals a cauliflower and compact texture depending on the potential of synthesis and deposition time. Kinetic of conductivity decay with aging time is dependent of exp(-t1/2) with a characteristic time of the degradation process around 20 days.

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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 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 Crystalline salts of the ring-reduced tin(IV) dichloride hexadecachlorophthalocyanine and octachloro- and octacyanotetrapyrazinoporphyrazine macrocycles with strong electron-withdrawing ability. Author is Faraonov, Maxim A.; Romanenko, Nikita R.; Kuzmin, Alexey V.; Konarev, Dmitri V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N..

Substituted tin(IV) dichloride phthalocyanine and tetrapyrazinoporphyrazines with acceptor chloro- or cyano-substituents: SnIVCl2(PcCl16), SnIVCl2(TPyzPzCl8) and SnIVCl2{TPyzPz(CN)8}, where PcCl16 = hexadecachlorophthalocyanine; TPyzPz(CN)8 = octacyanotetrapyrazinoporphyrazine, TPyzPzCl8 = octachlorotetrapyrazinoporphyrazine were synthesized. The reduction of these metallomacrocycles by fullerene {cryptand(Na+)}(C•-60) salt (1, 3 and 4) or potassium graphite (KC8) in the presence of cryptand (2) yields crystalline anionic salts: {cryptand(Na+)}2[SnIVCl2(PcCl4-16)]2-·C6H4Cl2 (1), {cryptand(K+)}2[{SnII(PcCl4-16)}0.926{SnIVCl2(PcCl4-16)}0.074]2-·2C6H4Cl2 (2), {cryptand(Na+)}[SnIVCl2{TPyzPz(CN)•3-8}]•-·C6H4Cl2 (3) and {cryptand(Na+)}2[SnIVCl2(TPyzPzCl4-8)]2-·2C6H4Cl2 (4). Reduction of SnIVCl2(macrocycle2-) with dianion macrocycles is accompanied by the formation of radical trianion or tetraanion macrocycles in 1-4. As stronger reductant, KC8 reduces the macrocycle and in addition nearly complete metal centered reduction from tin(IV) to tin(II) took place. Strong blue shift of the Q-band and new absorption bands are observed in the NIR range in the spectra of 1-4. Partial disruption of macrocycle aromaticity and alternation of the C – Nmeso bonds were found for the reduced macrocycles. Macrocycles are planar, and SnIV atoms are positioned exactly in the macrocycle plane. The only exception is strong distortion of the PcCl16 macrocycle in SnII(PcCl4-16) (2). Structures of 1-4 contain layers from the macrocycles having the side-by-side contacts in 1, 2, 4 and separated by cationic layers. Salt 3 presents the first structure of the TPyzPz(CN)8 macrocycle with strongest acceptor properties among known porphyrins and porphyrazines. It was shown that tetraanion macrocycles are diamagnetic in 1, 2 and 4. The [SnIVCl2{TPyzPz(CN)8•3-}]•- radical anions are paramagnetic in 3 with effective magnetic moment of 1.64μB, and salt 3 shows moderate antiferromagnetic coupling of spins with Weiss temperature of -14 K.

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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

Related Products of 616-43-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Characterization of site soil in the middle ages by Curie-point pyrolysis-gas chromatography/mass spectrometry. Author is Samukawa, Kisaburo; Simatani, Kazuhiko; Noda, Yoshimasa.

The site soils of Sakal city surrounded by moat in the middle ages were characterized by Curie-point pyrolysis GC/mass spectrometry;. The site soils of numbers 7 and 10 generated larger amounts of thermal decomposition products (e.g., acetonitrile, toluene, and pyrrole) then did other locations. The results suggested the possibility that private toilets existed.

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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

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Modular click chemistry libraries for functional screens using a diazotizing reagent, published in 2019-10-31, which mentions a compound: 3685-23-2, Name is cis-4-Aminocyclohexane carboxylic acid, Molecular C7H13NO2, Reference of cis-4-Aminocyclohexane carboxylic acid.

Alkyl and aryl azides were prepared from the corresponding primary alkyl and aryl amines by reaction with fluorosulfonyl azide generated in situ from a fluorosulfonylimidazolium triflate and sodium azide, expanding access to azides and both to the 1,2,3-triazoles derived from them and to functional screens employing them. The method allowed the preparation of a library of >1000 azides from the corresponding amines; the azide library underwent copper-catalyzed azide-alkyne cycloaddition reactions to yield a library of >1000 1,2,3-triazoles.

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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

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

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