Category: 15128-90-2

Nickel hydroxide nanoparticles decorated naphthalene sulfonic acid-doped polyaniline nanotubes as efficient catalysts for nitroarene reduction was written by Sypu, Venkata Satyanarayana;Bhaumik, Madhumita;Raju, Kumar;Maity, Arjun. And the article was included in Journal of Colloid and Interface Science in 2021.Computed Properties of C6H6N2O3 This article mentions the following:

Nanosize nickel hydroxide decorated 2-naphthalene sulfonic acid-doped polyaniline nanotubes nanocomposites (Ni(OH)₂@NSA-PANI NCs) were successfully developed for the catalytic reduction of aromatic nitro compounds The Ni(OH)₂@NSA-PANI NCs were synthesized by depositing Ni(OH)₂ nanoparticles onto 2-naphthalene sulfonic acid doped PANI nanotubes surface. The resulting material was characterized using field emission SEM (FE-SEM), high resolution transmission electron microscopy (HR-TEM), powder X-ray diffraction (P-XRD), Fourier-transform IR spectroscopy (FT-IR), and XPS. The prepared nanocomposite showed a remarkable ability to catalytically hydrogenate aromatic nitro compounds using sodium borohydride (NaBH₄) as hydrogen source in aqueous medium at room temperature Kinetic studies were performed using 4-nitrophenol (4-NP) as the model substrate, using the Langmuir-Hinshelwood model. The catalyst showed pseudo-first-order kinetics, with rate constants estimated between 0.08287 and 0.3649 min^-1. Catalyst recyclability without reduced activity was demonstrated over 10 successive cycles. The optimized nanocomposite catalyst demonstrated a low activation energy barrier towards 4-NP reduction In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Computed Properties of C6H6N2O3).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. Pyridine has a conjugated system of six 锜?electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H鐪塩kel criteria for aromatic systems. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C閳ユ弻 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Computed Properties of C6H6N2O3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Using Intelligent/Random Library Screening To Design Focused Libraries for the Optimization of Homogeneous Catalysts: Ullmann Ether Formation was written by Fagan, Paul J.;Hauptman, Elisabeth;Shapiro, Rafael;Casalnuovo, Albert. And the article was included in Journal of the American Chemical Society in 2000.Related Products of 15128-90-2 This article mentions the following:

A 96-member pyridine library consisting of both rationally chosen and random members was used to screen Ullmann ether forming reactions. The reaction of 2-bromo-4,6-dimethylaniline and other substrates with a variety of alkoxides was studied under different conditions with the aid of an automated liquid handler. From the results of the 96-member library screening, a structure activity profile was determined which led to the design of smaller focused ligand libraries. The focused libraries produced a higher frequency of hits compared to the original 96-member library. Some of the more effective ligands discovered in this work are generally useful for alkoxylation of a variety of substrates, and also functioned in intramol. ether forming reactions. This work demonstrates for homogeneous catalysis the analogy to the pharmacol. model of drug discovery. By using a large library to screen for a lead compound followed by screening the diversity space closest to the lead, a larger fraction of increased performance ligands was discovered. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Related Products of 15128-90-2).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. Pyridine has a conjugated system of six 锜?electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H鐪塩kel criteria for aromatic systems. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Related Products of 15128-90-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of heteroarylsulfanyl- and heteroaryloxyfuroxans by nucleophilic substitution of nitro group in nitrofuroxans with heterocyclic thiol and hydroxy derivatives* was written by Fershtat, Leonid L.;Epishina, Margarita A.;Kulikov, Alexander S.;Struchkova, Marina I.;Makhova, Nina N.. And the article was included in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2015.Recommanded Product: 15128-90-2 This article mentions the following:

A general method for the synthesis of heteroaryl- and heteroaryloxyfuroxans, e.g., I, based on nucleophilic substitution of 4-nitrofuroxans with heterocyclic thiols and alcs. in 1,8-diazabicyclo[5.4.0]undec-7-ene/MeCN system at room temperature is reported. Hetarylthiols reacted with 4-nitrofuroxans containing aliphatic, benzyl, and aromatic substituents at the ring C-3 atom, allowing to obtain a library of heteroarylsulfanylfuroxans, while the reaction with hydroxy heterocycles was successful only in the case of 4-nitro-3-phenylfuroxan, the rest of the nitrofuroxans showing low reactivity, and substitution products could be obtained only in certain cases. 4-Nitrofuroxans with electron-withdrawing substituents (NO₂, CONH₂) acted as oxidants, forming 1,2-di(heteroaryl)disulfides. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Recommanded Product: 15128-90-2).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ璺痬ol閳? in pyridine vs. 150 kJ璺痬ol閳? in benzene). Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C閳ユ弻 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Recommanded Product: 15128-90-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of 3-hydroxy-6-methyl-2-nitropyridine was written by Karnan, M.;Balachandran, V.;Murugan, M.. And the article was included in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 2012.Product Details of 15128-90-2 This article mentions the following:

The optimized mol. structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using d. functional theory (DFT) B3LYP method with 6-311++G(d,p), 6-311++G(2d,2p) and 6-311++G(3d,3p) basis sets. Investigation of the relative orientation of the hydroxyl group with respect to the nitro group has shown that two conformers (O-cis) and (O-trans) exist. The vibrational anal. of the stable conformer of the title compound is performed by means of IR absorption and Raman spectroscopy in combination with theor. simulations. The mol. stability and bond strength were investigated by applying the natural bond orbital (NBO) anal. Information about the size, shape, charge d. distribution and site of chem. reactivity of the mol. has been obtained by mapping electron d. isosurface with electrostatic potential (ESP). The isotropic chem. shift computed by ¹H and ¹³C NMR (NMR) chem. shifts of the HMNP calculated using the gauge invariant AO (GIAO) method also shows good agreement with exptl. observations. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Product Details of 15128-90-2).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Product Details of 15128-90-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridines – an examination into extension of surface-response domains was written by Seward, J. R.;Cronin, M. T. D.;Schultz, T. W.. And the article was included in SAR and QSAR in Environmental Research in 2001.COA of Formula: C6H6N2O3 This article mentions the following:

A selection of mechanistically diverse substituted pyridines were tested in the Tetrahymena pyriformis population growth impairment assay. The response-surface approach was used to derive multiple-regression type structure-toxicity relationships between T. pyriformis population growth impairment toxicity data (log (IGC₅₀^-1)) and the 1-octanol/water partition coefficient (log K_ow) and one of two different descriptors of MO interaction: energy of the LUMO (E_LUMO) and maximum acceptor superdelocalizability (S_MAX). A statistically robust model (log (IGC₅₀^-1) = -3.91+0.50 (log K_ow) + 10.70(S_MAX); n = 83, r² = 0.756, s = 0.38, F = 124, Pr > F = 0.0001) was developed with S_MAX as the indicator of reactivity. This model was not statistically different in fit from the model (log (IGC₅₀^-1) = -1.19+0.56 (log K_ow) – 0.61 (E_LUMO); n = 86, r² = 0.749, s = 0.38, F = 124, Pr > F = 0.0001) derived using the alternative descriptor of electrophilic interaction. Compounds with high residual values were removed. An examination of these outliers from both response-surfaces, revealed that pyridines substituted in the 2-position with electron-releasing groups and halogenated nitro-substituted pyridines did not fit the above models well. A third group of outliers, the mono-halogenated pyridines, was unique to the S_MAX response-surface, which are neutral narcotics with potentially high volatility. A comparison of observed and predicted toxicities for a validation set of pyridines for the S_MAX surface (log (observed IGC₅₀^-1) = 0.10+0.75 (log (predicted IGC₅₀^-1)); n = 10, r² = 0.662, s = 0.49, F = 15.7, Pr > F = 0.004) and the E_LUMO surface (log (observed IGC₅₀^-1) = 0.17+0.80 (log (predicted IGC₅₀^-1)); n = 10, r² = 0.707, s = 0.45, F = 19.3, Pr > F = 0.002) validated the above models, with the fit in the same range as the parent model. The model derived with S_MAX was compared to the response-surface derived for substituted benzenes (log (IGC₅₀^-1) = -3.47+0.50 (log K_ow) + 9.85(S_MAX); n = 197, r² = 0.816, s = 0.34, F = 429, Pr > F = 0.0001) revealing the similarities in slope and intercept between the two response-surfaces. The model fit was poorer for the pyridine surface, which may be a factor of increased reactivity due to the presence of nitrogen and the associated pair of unshared electrons in the ring not present in benzene. However, the similarity of the pyridine and benzene response-surfaces suggests that the domain defined for benzenes may be extended to encompass nitrogen heterocyclic pyridines. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2COA of Formula: C6H6N2O3).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.COA of Formula: C6H6N2O3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridines – an examination into extension of surface-response domains was written by Seward, J. R.;Cronin, M. T. D.;Schultz, T. W.. And the article was included in SAR and QSAR in Environmental Research in 2001.COA of Formula: C6H6N2O3 This article mentions the following:

A selection of mechanistically diverse substituted pyridines were tested in the Tetrahymena pyriformis population growth impairment assay. The response-surface approach was used to derive multiple-regression type structure-toxicity relationships between T. pyriformis population growth impairment toxicity data (log (IGC₅₀^-1)) and the 1-octanol/water partition coefficient (log K_ow) and one of two different descriptors of MO interaction: energy of the LUMO (E_LUMO) and maximum acceptor superdelocalizability (S_MAX). A statistically robust model (log (IGC₅₀^-1) = -3.91+0.50 (log K_ow) + 10.70(S_MAX); n = 83, r² = 0.756, s = 0.38, F = 124, Pr > F = 0.0001) was developed with S_MAX as the indicator of reactivity. This model was not statistically different in fit from the model (log (IGC₅₀^-1) = -1.19+0.56 (log K_ow) – 0.61 (E_LUMO); n = 86, r² = 0.749, s = 0.38, F = 124, Pr > F = 0.0001) derived using the alternative descriptor of electrophilic interaction. Compounds with high residual values were removed. An examination of these outliers from both response-surfaces, revealed that pyridines substituted in the 2-position with electron-releasing groups and halogenated nitro-substituted pyridines did not fit the above models well. A third group of outliers, the mono-halogenated pyridines, was unique to the S_MAX response-surface, which are neutral narcotics with potentially high volatility. A comparison of observed and predicted toxicities for a validation set of pyridines for the S_MAX surface (log (observed IGC₅₀^-1) = 0.10+0.75 (log (predicted IGC₅₀^-1)); n = 10, r² = 0.662, s = 0.49, F = 15.7, Pr > F = 0.004) and the E_LUMO surface (log (observed IGC₅₀^-1) = 0.17+0.80 (log (predicted IGC₅₀^-1)); n = 10, r² = 0.707, s = 0.45, F = 19.3, Pr > F = 0.002) validated the above models, with the fit in the same range as the parent model. The model derived with S_MAX was compared to the response-surface derived for substituted benzenes (log (IGC₅₀^-1) = -3.47+0.50 (log K_ow) + 9.85(S_MAX); n = 197, r² = 0.816, s = 0.34, F = 429, Pr > F = 0.0001) revealing the similarities in slope and intercept between the two response-surfaces. The model fit was poorer for the pyridine surface, which may be a factor of increased reactivity due to the presence of nitrogen and the associated pair of unshared electrons in the ring not present in benzene. However, the similarity of the pyridine and benzene response-surfaces suggests that the domain defined for benzenes may be extended to encompass nitrogen heterocyclic pyridines. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2COA of Formula: C6H6N2O3).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.COA of Formula: C6H6N2O3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem