Category: 1127-45-3

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.Panek, Jaroslaw J.; Blaziak, Kacper; Jezierska, Aneta researched the compound: 8-Hydroxyquinoline 1-oxide( cas:1127-45-3 ).Safety of 8-Hydroxyquinoline 1-oxide.They published the article 《Hydrogen bonds in quinoline N-oxide derivatives: first-principle molecular dynamics and metadynamics ground state study》 about this compound( cas:1127-45-3 ) in Structural Chemistry. Keywords: hydrogen bonds quinoline oxide derivatives free energy surface; free energy surface proton motion reproduced unconstrained CPMD. We’ll tell you more about this compound (cas:1127-45-3).

Car-Parrinello mol. dynamics simulations were carried out for 8-hydroxyquinoline N-oxide (1) and 2-carboxyquinoline N-oxide (2) in vacuo and in the solid state. The first-principle approach was employed to intramol. hydrogen bond features present in the studied quinoline N-oxides. Grimme’s dispersion correction was employed throughout the study. Special attention was devoted to the solid-state computations knowing that in the mol. crystals, strong and weak interactions are responsible for spatial organization and mol. properties of mols. On the basis of Car-Parrinello mol. dynamics, it was possible to reproduce the hydrogen bond dynamics as well as to investigate the vibrational features on the basis of Fourier transform of the at. velocity autocorrelation function. The free energy surfaces for proton motion were reproduced by unconstrained CPMD runs as well as by metadynamics. Larger flexibility of the bridge proton in 2 was noticed. The computations are verified by exptl. X-ray and IR data available.

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Quinoxaline – Wikipedia,
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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Tracer studies on the extraction of metal ions. III. Extraction of manganese(II), iron(III), cobalt(II), copper(II), and zinc(II) with 8-hydroxyquinoline N-oxide》. Authors are Mikulski, J..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Safety of 8-Hydroxyquinoline 1-oxide. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

8-Hydroxyquinoline N-oxide extract less Mn(II), Fe(III), and Co(II) than does 8-hydroxyquinoline, and the extraction takes place in a lower pH range. Zn was not extracted at all. The tracers were 54Mn, 59Fe, 60Co, 64Cu, and 65Zn. Cf. CA 60, 11569a.

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SDS of cas: 1127-45-3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Natural abundance oxygen-17 NMR spectroscopy of heterocyclic N-oxides and di-N-oxides. Structural effects. Author is Boykin, D. W.; Balakrishnan, P.; Baumstark, A. L..

The 17O chem. shift data for a series of azine N-oxides, diazine N-oxides and di-N-oxides at natural abundance are reported. Isomeric Me substituted quinoline N-oxides exhibited chem. shifts which are interpreted in terms of electronic and compressional effects. The 17O chem. shift for 8-methylquinoline N-oxide (370 ppm) is deshielded by 25 ppm more than predicted, based upon electronic considerations. The 17O chem. shift for the N-oxide of 8-hydroxyquinoline (289 ppm) is substantially shielded as a result of intramol. hydrogen bonding. The relative 17O chem. shifts for diazine N-oxides of pyrazine, pyridazine and pyrimidine follow predictions based on back donation considerations. Because of solubility limitations, spectra of only 2 N,N’-dioxides were obtained. The chem. shift of benzopyrazine di-N-oxide in acetonitrile was shielded by 18 ppm compared to that of its mono N-oxide.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Novel spiroborates and a dipole moment study of 1,3,2 dioxaboraazulene-2-spiro-2′-(1′,3′,2′-benzodioxaborole)》. Authors are Balaban, A. T.; Bally, Ioana; Bishop, R. J.; Rentea, C. N.; Sutton, L. E..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Application of 1127-45-3. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

The large dipole moment (8.24 D.) of 5(7)-methyl-1,3,2-dioxaboraazulene-2-spiro-2′-(1′,3′,2′-benzodioxaborole) (I) confirms the spiran co-ordinated structure previously suggested. Stable spiroborates are formed from butoxy-benzodioxaborole with 8-hydroxyquinoline or its N-oxide, but not with 3-hydroxy-γ-pyrone.

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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.Sen, Chiranjit; Ghosh, Subhash C. researched the compound: 8-Hydroxyquinoline 1-oxide( cas:1127-45-3 ).Application of 1127-45-3.They published the article 《Transition-Metal-Free Regioselective Alkylation of Quinoline N-Oxides via Oxidative Alkyl Migration and C-C Bond Cleavage of tert-/sec-Alcohols》 about this compound( cas:1127-45-3 ) in Advanced Synthesis & Catalysis. Keywords: alkyl quinoline oxide regioselective preparation; quinoline oxide alc alkyl migration bond cleavage PIDA mediated; isoquinoline alkyl oxide regioselective preparation; alc isoquinoline oxide alkyl migration bond cleavage PIDA mediated; pyridine alkyl oxide regioselective preparation; oxide pyridine alc aalkyl migration bond cleavage PIDA mediated. We’ll tell you more about this compound (cas:1127-45-3).

An unprecedented C2-alkylation of quinoline N-oxide derivatives I [R1 = Me, Et; R2 = H, OH, HNC(O)Ph, etc.; R3 = H, 6-Me, 5-Br, etc.] via C-C bond activation of tert- and sec-alkyl alc. was described using hypervalent iodine (III) reagent PhI(OAc)2 (PIDA). This regioselective alkylation using mild hypervalent iodine reagents was more practical, operationally simple and transition metal-free. The reaction proceeded efficiently with a broad range of substrates including quinoline, isoquinoline, and pyridine N-oxides using a variety of tert-/sec- alcs. to afford compounds I, alkyl-benzo[h]quinoline-N-oxides, alkyl-pyridine-N-oxides and alkyl-isoquinoline-N-oxides. From exptl. outcome, a rationalized mechanism was proposed, mediated by PIDA.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 8-Hydroxyquinoline 1-oxide(SMILESS: OC1=CC=CC2=CC=C[N+]([O-])=C12,cas:1127-45-3) is researched.Computed Properties of C12H12N2. The article 《Influence of solvents on intramolecular hydrogen bonds with large proton polarizability》 in relation to this compound, is published in Journal of Magnetic Resonance (1969-1992). Let’s take a look at the latest research on this compound (cas:1127-45-3).

A large number of compounds with intramol. hydrogen bonds with great proton polarizability were studied by 1H NMR in solvents of various polarities. With the homoconjugated hydrogen bonds, small changes of the chem. shift of the hydrogen-bonded proton are observed with increasing polarity of the solvent, whereby the signal shifts toward lower field. This effect is explained by increasing removal of the counterions from the homoconjugated hydrogen bonds and thus, by decreasing induced dipole interaction of the counterions and the hydrogen bonds with great proton polarizability. In the case of heteroconjugated hydrogen bonds analogous but much greater shifts are observed They are explained by a shift of the OH···N ⇌ O-···H+N equilibrium to the right-hand side with increasing polarity of the solvent. With hydrogen bonds showing no great proton polarizability these effects do not occur.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Oxine N-oxide as an analytical reagent for the colorimetric estimation of Ce(IV) and its comparison with 8-quinolinol as a chelating agent》. Authors are Bhat, A. N.; Jain, B. D..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Electric Literature of C9H7NO2. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

Aqueous solutions of Ce(IV) salts form stable brownish red H2O-soluble complexes when combined with alc. oxine N-oxide. The absorption is measured at 420 mμ, and Beer’s law is obeyed to 9.0 p.p.m. Ce. Th, U, and F- interfere and must be removed.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《8-Hydroxy-1-methoxyquinoline methosulfate》. Authors are Krasavin, I. A.; Dziomko, V. M.; Radin, Yu. P..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Reference of 8-Hydroxyquinoline 1-oxide. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

The crude title compound, not described previously, m. 126-8° (decomposition) and is very soluble in water, soluble in alcs., and insoluble in nonpolar solvents. Reaction with nucleophilic compounds gives 2-substituted 8-hydroxyquinolines. A mixture of 48.3 g. powd. 8-hydroxyquinoline 1-oxide (m. 138.5-39°) (Phillips, et al., CA 51, 11349a; Murase and Demura, CA 58 3390b, recrystallized twice from water and C6H6) and 37.9 g. freshly distilled Me2SO4 is warmed on a water bath 2 hrs. with reflux. The mass is cooled and stirred until crystallization, 200 ml. dry Et2O is added, and the mixture stirred until all material is hardened. The solid is washed with 50-100 ml. Et2O in a mortar after filtration, washed on the filter with Et2O, and dried in a vacuum desiccator. Yield 77.6-9.3 g. hygroscopic material. Recrystallization of 20 g. from EtOH-Et2O gave 3.67 g., m. 143-4.5°.

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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, Article, Research Support, Non-U.S. Gov’t, Journal of Organic Chemistry called Identification of the Aromatic Tertiary N-Oxide Functionality in Protonated Analytes via Ion/Molecule Reactions in Mass Spectrometers, Author is Duan, Penggao; Gillespie, Todd A.; Winger, Brian E.; Kenttamaa, Hilkka I., which mentions a compound: 1127-45-3, SMILESS is OC1=CC=CC2=CC=C[N+]([O-])=C12, Molecular C9H7NO2, Computed Properties of C9H7NO2.

A mass spectrometric method is presented for the rapid identification of compounds that contain the aromatic N-oxide functional group. This method utilizes a gas-phase ion/mol. reaction with 2-methoxypropene that yields a stable adduct for protonated aromatic tertiary N-oxides (and with one protonated nitrone) in different mass spectrometers. A variety of protonated analytes with O- or N-containing functional groups were examined to probe the selectivity of the reaction. Besides protonated aromatic tertiary N-oxides and one nitrone, only three protonated amines were found to form a stable adduct but very slowly. All the other protonated analytes, including aliphatic tertiary N-oxides, primary N-oxides, and secondary N-oxides, are unreactive toward or react predominantly by proton transfer with 2-methoxypropene.

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Computed Properties of C9H7NO2. 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: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Solvent effect on the intramolecular hydrogen bond in 8-quinolinol N-oxide. Author is Dziembowska, T.; Malarski, Z.; Szczodrowska, B..

Solvent effect on intramol. hydrogen bond in 8-quinolinol N-oxide has been studied by IR, UV, 1H NMR and 13C NMR spectroscopy, dipole moment measurements and quantum-mech. calculations The solute-solvent interactions are of local character and they vary considerably over the range of solvent under study. The results suggest that formation complexes with solvent mols. weaken the intramol. hydrogen bond in 8-quinolinol N-oxide.

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