Category: chiral-oxygen-ligands

Product Details of 3685-23-2. 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-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Approaches towards the synthesis of fluoro(cyclo)alkylamines. Author is Windhorst, A. D.; Bechger, L.; Visser, G. W. M.; Menge, W. P. M. B.; Leurs, R.; Timmerman, H.; Herscheid, J. D. M..

The synthesis of fluoro(cyclo)alkylamines 1-amino-6-fluorohexane, 1-amino-7-fluoroheptane, cis/trans-4-fluorocyclohexylamine and cis-4-fluoromethylcyclohexylamine has been investigated for use as synthons for histamine receptor ligands for use in PET.

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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

Reference of 5,6-Dichloropyrazine-2,3-dicarbonitrile. 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, separation and UV/Vis spectroscopy of pyrazino-quinoxalinoporphyrazine macrocycles. Author is Musil, Zbynek; Zimcik, Petr; Miletin, Miroslav; Kopecky, Kamil; Lenco, Juraj.

Unsym. metal-free and zinc complexes of pyrazino/quinoxalino-porphyrazines (PQP) bearing eight diethylamino groups were synthesized by statistical tetramerization of 2,3-bis(diethylamino)quinoxaline-6,7-dicarbonitrile and 5,6-bis(diethylamino)pyrazine-2,3-dicarbonitrile in lithium butanolate. For this purpose, a new heteroatom-substituted quinoxaline precursor, 2,3-dichloroquinoxaline-6,7-dicarbonitrile, was prepared and characterized. It is a flexible starting material for new building blocks of quinoxaline-6,7-dicarbonitrile derivatives All the PQPs (including adjacent and opposite isomers) from the statistical mixture were detected and separated by column chromatog. on silica and characterized by MALDI-TOF mass spectrometry, IR, UV/visible and NMR spectroscopy. The effect of the insertion of benzene rings into the tetrapyrazinoporphyrazine (TPP) system is discussed. Each benzene ring insertion into the TPP system causes a bathochromic shift of 22 nm; the dependence is linear. The final tetra[6,7]quinoxalinoporphyrazines were red shifted to 744 and 763 nm for the zinc and metal-free derivative, resp. Splitting of the Q-band was observed for PQPs with lower symmetry.

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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

Safety of 3-Methyl-1H-pyrrole. 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 Steric and Electronic Effects in Methyl-Substituted 2,2′-Bipyrroles and Poly(2,2′-Bipyrrole)s: Part II. Theoretical Investigation on Monomers. Author is Gatti, Carlo; Frigerio, Giovanni; Benincori, Tiziana; Brenna, Elisabetta; Sannicolo, Franco; Zotti, Gianni; Zecchin, Sandro; Schiavon, Gilberto.

The effects of N- and Cβ-Me substitution in pyrrole and 2,2′-bipyrrole were investigated through ab initio calculations and Atoms in Mols. anal. of the resulting wave functions. Replacement of a hydrogen atom with a Me group in pyrroles lowers the ionization potential, with substitution at C3 being more efficient than N-substitution because of the larger release of π population to the ring in the former case. Full geometry optimization at RHF/6-31G** level and as a function of the torsion angle τ between two adjacent rings demonstrates that the increasing loss of planarity in the 2,2′-bipyrrole, N,N’-dimethyl-2,2′-bipyrrole, and 3,3′-dimethyl-2,2′-bipyrrole series, adversely affects the pos. contributions expected from Me substitution. An intramol. interaction energy model shows that the greater anti-planarization energy of N,N’-dimethyl-2,2′-bipyrrole, as compared to 3,3′-dimethyl-2,2′-bipyrrole, is due to the larger decrease in the stabilizing electrostatic term and to the larger increase in the destabilizing nonbonding contribution which occurs at τ = 0° in the former. Calculations on the corresponding monocations and anal. of new conductivity measures on substituted poly(2,2′-bipyrrole)s suggest that the ease in achieving local chain planarity in doped polypyrroles should be more closely correlated to the anti-planarization energies of the charged monomers rather than to anti-planarization energies of the neutral monomers.

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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

Reference of 3-Methyl-1H-pyrrole. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Management induced organic matter differentiation in grassland and arable soil: a study using pyrolysis techniques. Author is Nierop, Klaas G. J.; Pulleman, Mirjam M.; Marinissen, Joke C. Y..

Differences in agricultural management and land use lead to differences in soil structure, soil organic matter (SOM) dynamics and composition We investigated the SOM composition at 3 depth layers in a permanent pasture (PP), an organic arable (OA) and a conventional arable (CA) field within one soil series in marine loam deposits in The Netherlands. Both arable fields were in the grass phase of the rotation. The chem. composition of SOM was determined by a combination of conventional pyrolysis-gas chromatog./mass spectrometry (Py-GC/MS) and of thermally-assisted hydrolysis and methylation (THM) with tetramethylammonium hydroxide (TMAH). In PP, SOM was composed of relatively little decomposed, mainly grass-derived material comprising polysaccharides, lignin, aliphatic compounds (extractable lipids, cutin, suberin) and proteins. With depth, plant-derived constituents decreased, whereas microbial and humified material predominated. Both arable soils contained mainly strongly humified plant material and microbially altered proteineous material that showed heterocyclic N-compounds together with alkylbenzenes and phenols upon pyrolysis. With THM, small traces of plant-derived alkanols and cutin/suberin were observed in the arable soils. The upper layers of OA contained little lignin, which can only be derived from the grass vegetation or manure inputs since last plowing (2 yr before), since it was not found in the whole plow layer. Overall SOM composition is therefore hardly affected by organic farming compared to conventional management. The differences in SOM content and composition between the pasture and arable fields can be ascribed to differences in input and depth distribution of fresh organic materials. A difference in phys. protection of easily mineralizable SOM between pasture and arable soils is also likely to contribute.

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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

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

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

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

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

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