Category: 1127-45-3

Related Products of 1127-45-3. 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 Molecular and crystal structure of 8-hydroxyquinoline N-oxide. Author is Desiderato, R.; Terry, J. C.; Freeman, G. R.; Levy, H. A..

The structure of 8-hydroxyquinoline N-oxide was determined from diffractometer data by a direct method. The compound crystallizes in the monoclinic system with space group P21/c. The cell data are: a 12.1364(4), b 4.9211(2), c 13.1384(4) Å, β 109.26(1)°, d.(calculated)=1.449, d.(exptl.)=1.46, Z=4. The structure was solved by a direct method. 1528 reflections were used in a full-matrix least-squares refinement. R was reduced to a final value of 0.053. Bond lengths between non-H atoms have estimated standard derivations (e.s.d.’s) between 0.002 and 0.003 Å. The e.s.d.’s of the various bond angles (non-H atoms) range from 0.01 to 0.02°. Distances and angles involving the H atoms have e.s.d.’s of 0.02 Å and 1°, resp. The 2 C-N distances of the quinoline ring are unusually long, and the quinoline moiety is surprisingly similar to naphthalene in terms of bond distances and angles. The inductive effect of the N-O group may in part be responsible for the C-N lengthenings. The hydroxyl H atom is bonded to the dative O atom via a short intramol. H bond. The direct relation between the N-O dative bond distance and the strength of a H bond to the dative O atom appears to be substantiated in this study.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 8-Hydroxyquinoline 1-oxide( cas:1127-45-3 ) is researched.Application of 1127-45-3.Blaziak, Kacper; Panek, Jaroslaw J.; Jezierska, Aneta published the article 《Molecular reorganization of selected quinoline derivatives in the ground and excited states-Investigations via static DFT》 about this compound( cas:1127-45-3 ) in Journal of Chemical Physics. Keywords: quantum chem ESIPT quinoline derivatives intramol hydrogen bond. Let’s learn more about this compound (cas:1127-45-3).

Quinoline derivatives undergo internal reorganizations via the observed excited-state-induced intramol. proton transfer (ESIPT). Here, we report on computations for selected 12 quinoline derivatives possessing three kinds of intramol. hydrogen bonds. D. functional theory was employed for the current investigations. The metric and electronic structure simulations were performed for the ground state and first excited singlet and triplet states. The computed potential energy profiles do not show a spontaneous proton transfer in the ground state, whereas excited states exhibit this phenomenon. Atoms in Mols. (AIM) theory was applied to study the nature of hydrogen bonding, whereas Harmonic Oscillator Model of aromaticity index (HOMA) provided data of aromaticity evolution as a derivative of the bridge proton position. The AIM-based topol. anal. confirmed the presence of the intramol. hydrogen bonding. In addition, using the theory, we were able to provide a quant. illustration of bonding transformation: from covalent to the hydrogen. On the basis of HOMA anal., we showed that the aromaticity of both rings is dependent on the location of the bridge proton. Further, the computed results were compared with exptl. data available. Finally, ESIPT occurrence was compared for the three investigated kinds of hydrogen bridges, and competition between two bridges in one mol. was studied. (c) 2015 American Institute of Physics.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Vanadium. VII. Vanadium(IV) complexes of benzimidazoles and oxine N-oxide》. Authors are Dutta, R. L.; Lahiry, Subrata.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.

cf. CA 60, 5057b. The following complexes were prepared and their magnetic moments determined at 30-5; VO(H2O)B2+, 1.63; VO(H2O)G2+, 1.50; VOG2, 1.59; VO(BC)2.H2O 1.60; and VO(Ox)2, 1.77 Bohr magnetons, where B is benzimidazole, G is 2-guanidino benzimidazole, BC is 2-benzimidazolecarboxylate.

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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 Vanadium. VII. Vanadium(IV) complexes of benzimidazoles and oxine N-oxide, published in 1964, which mentions a compound: 1127-45-3, Name is 8-Hydroxyquinoline 1-oxide, Molecular C9H7NO2, Electric Literature of C9H7NO2.

cf. CA 60, 5057b. The following complexes were prepared and their magnetic moments determined at 30-5; VO(H2O)B2+, 1.63; VO(H2O)G2+, 1.50; VOG2, 1.59; VO(BC)2.H2O 1.60; and VO(Ox)2, 1.77 Bohr magnetons, where B is benzimidazole, G is 2-guanidino benzimidazole, BC is 2-benzimidazolecarboxylate.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 1127-45-3, is researched, Molecular C9H7NO2, about The oxidation of pyridine and alcohol using the Keggin-type lacunary polytungstophosphate as a temperature-controlled phase transfer catalyst, the main research direction is pyridine oxide preparation; oxidation pyridine polytungstophosphate catalyst; ketone preparation; alc oxidation polytungstophosphate catalyst.Recommanded Product: 1127-45-3.

A novel temperature-controlled phase transfer catalyst of [(C18H37)2(CH3)2N]7[PW11O39] has been developed for the oxidation of pyridines and alcs. with hydrogen peroxide. The reactions were conducted in 1,4-dioxane, and high yields of the corresponding heterocyclic N-oxides and ketones were obtained under relative mild conditions. The catalyst could be easily recovered and reused after reaction with cooling. There was no discernable loss in activity and selectivity after several reaction cycles.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Distinguishing N-oxide and hydroxyl compounds: Impact of heated capillary/heated ion transfer tube in inducing atmospheric pressure ionization source decompositions, published in 2004-06-30, which mentions a compound: 1127-45-3, mainly applied to distinguishing nitrogen oxide hydroxyl mass spectra; heated capillary transfer tube pressure ionization source decomposition, Synthetic Route of C9H7NO2.

In the pharmaceutical industry, a higher attrition rate during the drug discovery process means a lower drug failure rate in the later stages. This translates into shorter drug development time and reduced cost for bringing a drug to market. Over the past few years, anal. strategies based on liquid chromatog./mass spectrometry (LC/MS) have gone through revolutionary changes and presently accommodate most of the needs of the pharmaceutical industry. Among these LC/MS techniques, collision induced dissociation (CID) or tandem mass spectrometry (MS/MS and MSn) techniques were widely used to identify unknown compounds and characterize metabolites. MS/MS methods are generally ineffective for distinguishing isomeric compounds such as metabolites involving oxygenation of carbon or nitrogen atoms. Most recently, atm. pressure ionization (API) source decomposition methods aid in the mass spectral distinction of isomeric oxygenated (N-oxide vs. hydroxyl) products/metabolites. In previous studies, experiments were conducted using mass spectrometers equipped with a heated capillary interface between the mass analyzer and the ionization source. The authors studied the impact of the length of a heated capillary or heated ion transfer tube (a newer version of the heated capillary designed for accommodating orthogonal API source design) in inducing for-API source deoxygenation that allows the distinction of N-oxide from hydroxyl compounds 8-Hydroxyquinoline (HO-Q), quinoline-N-oxide (Q-NO) and 8-hydroxyquinoline-N-oxide (HO-Q-NO) were used as model compounds on three different mass spectrometers (LCQ Deca, LCQ Advantage and TSQ Quantum). Irresp. of heated capillary or ion transfer tube length, N-oxides from this class of compounds underwent predominantly deoxygenation decomposition under atm. pressure chem. ionization conditions and the abundance of the diagnostic [M + H – O]+ ions increased with increasing vaporizer temperature Also, the results suggest that in API source decomposition methods described in this paper can be conducted using mass spectrometers with nonheated capillary or ion transfer tube API interfaces. Because N-oxides can undergo in-source decomposition and interfere with quantitation experiments, particular attention should be paid when developing API based bioanal. methods.

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Product Details of 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. Compound: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Theoretical investigation of the second and third order nonlinear optical properties of some fused heterocyclic aromatic compounds.

The results of coupled perturbed Hartree-Fock (CPHF) ab initio extended basis set calculations on the geometric structures, dipole moments, static first-order (α), second-order (β), and third-order polarizabilities (γ) of fused heterocyclic aromatic compounds based on quinoline are reported. The effects of the presence/absence of the nitrogen atom as well as the introduction of other substituents (OH, NH2, NO2) at various positions in the ring system on these mol. properties are described. The effect of the presence of N-oxide is also examined Suggestions for the design of heterocyclic systems with enhanced polarizabilities are made.

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Electric Literature of C9H7NO2. 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: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Effects of substituents on the intramolecular hydrogen bond in 8-quinolinol-N-oxides. Author is Ghuge, K. D.; Umapathy, P.; Sen, D. N..

IR spectral and deuteration studies on 8-quinolinol-N-oxides and its 5-nitro-, 5-nitroso-, 5-amino-, 5-phenylazo-, 5,7-dibromo- and 5,7-diiodo-derivatives in solid and in solution state confirm the presence of a strong intramol. unsym. H bond involving the hydroxyl hydrogen atom and the N-oxide oxygen atom. The structure of the complex absorption pattern in the region 2850 cm-1-1800 cm-1 is explained in terms of Fermi resonance interaction between the νOH of O-H…O and the overtone and combination bands of (δOH + νC-O) and other fundamental vibrations of the mol. The absence of any significant absorptions in the νOH region in the spectra of 5,7-dichloro- and 5,7-dinitro-derivatives coupled with strong and broad absorption in 1500 cm-1-600 cm-1 region is perhaps due to the presence of very short hydrogen bonds in these compounds

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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: 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.Safety of 8-Hydroxyquinoline 1-oxide.

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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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 Reaction of 5-(2-hydroxy-3,5-dinitrophenylazo)-8-hydroxyquinoline N-oxide with copper(II), published in 1979-08-31, which mentions a compound: 1127-45-3, Name is 8-Hydroxyquinoline 1-oxide, Molecular C9H7NO2, Reference of 8-Hydroxyquinoline 1-oxide.

Taking as an example the color reaction between Cu(II) and 5-(2-hydroxy-3,5-dinitrophenylazo-8-hydroxyaquinoline N-oxide (I), the possibility of a new class of anal. reagents based on 8-hydroxyquinoline N-oxide azo compounds was studied. Significant differences were observed when using this class of reagents in complex formation compared to 8-hydroxyquinoline azo derivatives As a result of complex formation I is converted from the azoid form to the quinone-hydrazone form. I reacts with Cu(II) to form a violet-complex in aqueous media and pH 5.9-6.5 with λ maximum at 530 nm. The molar absorptivity of the complex is (9.5 ± 0.1) × 103. The same complex forms in 50% aqueous Me2CO medium at pH 5.5-6.0; λ maximum is at 530 nm with a molar absorptivity of (1.57 ± 0.03) x 104. A rapid extraction-spectrophotometric procedure was developed for Cu determination in Zn alloys and steel by using I. Beer’s law is obeyed up to 1.5 μg Cu/mL. Zn 200; Mn, Ag, and Pb 100; Co 25; and Ni 20; Cl- and NO3- 1000; SO42- 800; and F- 125-fold excess do not interfere; Al, Fe(III), and Cr(III) do. Al and Fe interference can be masked by addition of NaF.

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