Day: January 5, 2023

An electron spin resonance and voltammetric investigation of some 2-mono- and 2,4-disubstituted pyridinyl radicals was written by Greci, Lucedio;Alberti, Angelo;Carelli, Italo;Trazza, Antonio;Casini, Antonio. And the article was included in Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) in 1984.Product Details of 1620-76-4 This article mentions the following:

Reduction of the pyridinium salts I (R = cyano, R¹ = H, Me, CMe₃, cyano; R = CO₂Et, COMe, R¹ = H) with Me₃COK in deoxygenated DMSO was studied by ESR spectroscopy, and the results compared with electrochem. reduction of I. The electrochem. and ESR data were combined to obtain a scale of stability for the radicals II (same R, R¹, R² = Me). N-Methyl-2-cyanopyridinyl, too unstable to be observed, eventually evolved to the 2,4-dicyano-substituted radical. ESR studies on the related germylpyridinyls II (same R, R¹, R² = GePh₃) were also carried out. In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4Product Details of 1620-76-4).

4-Methylpicolinonitrile (cas: 1620-76-4) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Product Details of 1620-76-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Conductivity enhancement of PEDOT/PSS films with ionic liquids as dopants was written by Lee, Sungkoo;Lee, Kyeong K.. And the article was included in Advanced Materials Research (Zuerich, Switzerland) in 2010.Name: 1-Butyl-4-methylpyridin-1-ium bromide This article mentions the following:

The ionic materials were added to PEDOT/PSS solution as secondary dopants. The conductivity of PEDOT/PSS film improved with adding ionic materials. The film of PEDOT/PSS with 1% pyridinium p-toluene-sulfonate showed the conductivity of 23S/cm, which is increased about three orders than the film of origin PEDOT/PSS with 0.028S/cm. The surface morphol. of films of PEDOT/PSS mixture is investigated by at. force microscope. The AFM showed the increasing of grain size with the addition of pyridinium p-toluene-sulfonate. In the experiment, the researchers used many compounds, for example, 1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6Name: 1-Butyl-4-methylpyridin-1-ium bromide).

1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6) 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. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Name: 1-Butyl-4-methylpyridin-1-ium bromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chemical Differentiation of Sugarcane Cultivars Based on Volatile Profile and Chemometric Analysis was written by Silva, Pedro;Freitas, Jorge;Nunes, Fernando M.;Camara, Jose S.. And the article was included in Journal of Agricultural and Food Chemistry in 2021.Name: Pyridin-4-ol This article mentions the following:

Sugarcane (SC) is a perennial grass widely cultivated in tropical and subtropical regions. However, its cultivation in Europe is residual, where Madeira Island, Portugal, is the only region where SC continues to be extensively cultivated. For the first time, the volatile profiles of regional cultivars were established by solid-phase microextraction combined with gas chromatog.-mass spectrometry. Different volatile profiles for each cultivar were recognized, identifying 260 volatile organic compounds belonging to 15 chem. classes, such as aldehydes, alcs., ketones, hydrocarbons, esters, and terpenes. Chemometric anal. procedure, namely, one-way ANOVA with Tukey’s test, principal component anal., partial least-square anal., linear discriminant anal., and hierarchical clustering anal., allowed the differentiation between all regional cultivars. This study represents an important contribution for the maintenance of biodiversity and subsistence of the SC industry in Europe. Furthermore, it is also a valuable contribution to establish the typicality of traditional SC-based products, such as SC honey. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Name: Pyridin-4-ol).

Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Name: Pyridin-4-ol

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Catalytic Fast Pyrolysis of Sewage Sludge over HZSM-5: A Study of Light Aromatics, Coke, and Nitrogen Migration under Different Atmospheres was written by Gu, Bo;Cao, Jing-Pei;Shan, Yi-Fu;Wei, Fu;Zhao, Ming;Zhao, Yun-Peng;Zhao, Xiao-Yan;Wei, Xian-Yong. And the article was included in Industrial & Engineering Chemistry Research in 2020.Recommanded Product: 2-Isopropylpyridine This article mentions the following:

catalytic fast pyrolysis of wastewater sludge was conducted to assess pyrolysis temperature and atm., and catalysts effect on C and N distribution in a fixed-bed reactor. a H₂ atmosphere had the lowest C selectivity of solid products and the highest gaseous product yield over HZSM-5 (HZ) at the same temperature vs. Ar and steam atmospheres. higher temperature led to increased C selectivity of gaseous products and decreased C selectivity of solids. H₂ increased the C yield of light aromatics (LA); steam reduced generation of LA. over 0.5 Ni-HZ, H₂ had the highest LA C yield (11.4%) vs. 1.6% from non-catalytic fast pyrolysis of sludge. higher temperatures, H₂ and steam atmospheres, and metal-loaded HZ promoted N transfer to gaseous products. the highest N yield (i.e., NH₃) of 55.6% was obtained from sludge pyrolysis over HZ at 700° in a H₂ atmosphere. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Recommanded Product: 2-Isopropylpyridine).

2-Isopropylpyridine (cas: 644-98-4) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Recommanded Product: 2-Isopropylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In-syringe magnetic stirring assisted dispersive liquid-liquid micro-extraction with solvent washing for fully automated determination of cationic surfactants was written by Horstkotte, Burkhard;Suarez, Ruth;Solich, Petr;Cerda, Victor. And the article was included in Analytical Methods in 2014.Quality Control of 1-Dodecylpyridin-1-ium bromide This article mentions the following:

An automated simple analyzer system for the extraction of cationic surfactants as an ion-pair with disulfine blue dye is described based on the technique in-syringe magnetic stirring-assisted dispersive liquid-liquid micro-extraction The use of chloroform as an extraction solvent denser than water required the operation of the syringe pump upside-down. The remaining air cushion inside the syringe allowed emptying the syringe completely and reducing the dead volume significantly compared to previous studies. Since the stirring bar placed inside the syringe to obtain a closed yet size-adaptable mixing chamber remains at the same position, the former magnetic stirring bar driver was simplified. The new system configuration further enabled automated in-syringe washing of the organic phase with water and barium acetate solution to minimize interference. High signal repeatability with <5% RSD was achieved both for extraction as well as for double organic phase washing. Only 220 μL of the extraction solvent and 4 mL of the sample were required for simple extraction achieving a detection limit below 30 nmol L^-1 and a linear response up to 1 μmol L^-1 of cetyltrimethylammonium bromide. The time of anal. was 240 s for simple extraction Considerable reduction of interference was achieved by extract washing up to 545 s. Analyte recovery in real water samples was 95.6 ± 7.0% on applying extract washing. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Quality Control of 1-Dodecylpyridin-1-ium bromide).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Quality Control of 1-Dodecylpyridin-1-ium bromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Enhancement of nonlinearity by a parasubstituted compounds – it’s spectroscopic analysis was written by Anandhi, S.;Shyju, T. S.. And the article was included in Materials Today: Proceedings in 2021.Application of 626-64-2 This article mentions the following:

By slow cooling solution growth technique, transparent single crystals of 4-pyridone 4-nitrophenol (4PNP) were grown using ethanol as solvent. The harvested crystals were subjected to various characterization studies. Single crystal XRD reveals that the grown crystal crystallizes in orthorhombic system. The grown crystals were characterized by FTIR/Raman to ascertain the fundamental functional groups. Theor. anal. predicts that 324 possible optical modes of vibrations. Bandgap and refractive index were obtained from the UV-Vis optical studies. Fluorescence spectrum shows an emissive peak at 340 nm. HOMO-LUMO plot reports the energy gap on the basis of MO energy levels. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Application of 626-64-2).

Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Application of 626-64-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

QSTR study on aquatic toxicity against Poecilia reticulata and Tetrahymena pyriformis using topological indices was written by Costescu, Adina;Diudea, Mircea V.. And the article was included in Internet Electronic Journal of Molecular Design in 2006.SDS of cas: 15128-90-2 This article mentions the following:

Motivation: Considering the importance of quant. structure-toxicity relationship (QSTR) studies in the field of aquatic toxicol. from the viewpoint of ecol. safety assessment, fish and algae toxicity of various aromatic compounds has been modeled by the multiple regression technique. Topol. indexes are used to relate the chem. structures to their toxic activity against aquatic organisms. In our experiment we do not look for the best model for a property on a given set of mols., but for the best set of descriptors modeling a given functional group. Method: Correlation anal. and Multiple Linear Regression (MLR) have been carried out to derive the best QSAR models, giving important information on functional groups by topol. descriptors. The models belonging to benzene derivative toxicity against Poecilia reticulata were validated with an external validation set, and the indexes in the best models were used to predict the toxicity for other two sets of aromatic compounds against Tetrahymena pyriformis. The robustness and prediction power of each model was evaluated by a leave-half-out (LHO) procedure. Results: The classification performance of topol. descriptor models generated with multiple regressions show that the statistical results depend strongly on the functional groups description. The basic set, toxicity data of 92 diverse aromatic compounds against Poecilia reticulata, provided very good results witch were validated more then 93%. For the both prediction sets against Tetrahymena pyriformis the best models are: R = 0.98; R² = 0.96; Q² = 0.94; F = 188.36; s = 0.13 (the set with 37 nitrobenzene derivatives) and R = 0.92; R² = 0.84; Q² = 0.82; F = 198.64; s = 0.2 (for 167 aromatic compounds). Conclusions: Our statistical study demonstrated that topol. indexes based on Cluj matrixes show a good predictive ability of the aquatic toxicity against Poecilia reticulata and Tetrahymena pyriformis. These indexes account for mol. bulk, halogen, nitro and amino substitutions in the benzene ring. The four descriptors that describe the equation of nitrobenzene derivative are very useful to predict the activity of other compounds containing the nitro functional group. It appears that topol. descriptors have significant potential in QSTR studies, which warrants extensive evaluation. This procedure can be used to approach the aquatic toxicity and to select the appropriate model for new chem. compounds In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2SDS of cas: 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·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.SDS of cas: 15128-90-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

A structure-activity relationship study of the toxicity of ionic liquids using an adapted Ferreira-Kiralj hydrophobicity parameter was written by Melo, Eduardo Borges de. And the article was included in Physical Chemistry Chemical Physics in 2015.Computed Properties of C7H7ClN2 This article mentions the following:

The Ferreira-Kiralj hydrophobicity parameter W_c is a number fraction of hydrophobic carbon atoms and can be regarded as a constitutional descriptor since its calculation depends only on the number of polar and nonpolar carbons in a compound Hydrophobicity is important to the toxicity of ionic liquids (ILs), which are salts by nature. Herein, a descriptor for this property was calculated using a simple adaptation of the type of polar carbon atoms included (W_cAdap) to explore the possibility of its use in quant. structure-activity relationship (QSAR) studies of ILs. The resulting model was tested using a database of ILs with toxicity against the Leukemia rat cell line IPC-81. Two other models were constructed using Crippen log P and Mannhold log P descriptors, which are both available in the free program PaDEL. The use of W_cAdap led to a better and more indicative model. Thus, W_cAdap may be a suitable mol. descriptor for the hydrophobicity of ILs in QSAR studies. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3Computed Properties of C7H7ClN2).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Computed Properties of C7H7ClN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis and characterization of copper(I) and silver(I) complexes with heterocyclic bidentate ligands (N, X), X = S, Se was written by Sousa-Pedrares, Antonio;Duran-Carril, Maria Luz;Romero, Jaime;Arturo Garcia-Vazquez, J.;Sousa, Antonio. And the article was included in Inorganica Chimica Acta in 2010.Application In Synthesis of 2-Bromo-3-(trifluoromethyl)pyridine This article mentions the following:

The synthesis and structural characterization of series of copper and silver homoleptic complexes [M(R-pyX)] (py = 2-pyridine, M = Cu, Ag, X = S, Se; R = H, 3-CF₃, 5-CF₃ (not all combinations)), is described. The copper compounds, as well as [Ag(pySe)] and [Ag(3-CF₃-pySe)], were synthesized by electrochem. oxidation of anodic metal in a cell containing an acetonitrile solution of the corresponding proligand. The other homoleptic silver complexes were obtained by direct reaction between AgNO₃ and the salt of the corresponding ligand in methanol. The reaction of the metal thiolate compounds with bis(diphenylphosphino)ethane (dppe) in acetone gave heteroleptic compounds [M₂(R-pyX)₂(dppe)₃]. The compounds obtained were characterized by microanal., IR spectroscopy and mass spectrometry and, in cases where the complexes were sufficiently soluble, by ¹H NMR spectroscopy. The proligands (3-CF₃pySe)₂ (1), (5-CF₃-pySe)₂ (2) and (5-CF₃-pySe-DMF) (3) and [Cu(3-CF₃-pyS)] (4), [Ag(3-CF₃-pyS)] (5) and [Cu₂(5-CF₃-pyS)₂(dppe)₃] (6) were obtained as crystalline products and were studied by x-ray diffraction methods. In the experiment, the researchers used many compounds, for example, 2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0Application In Synthesis of 2-Bromo-3-(trifluoromethyl)pyridine).

2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Application In Synthesis of 2-Bromo-3-(trifluoromethyl)pyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Characterization of liquefied products from corn stalk in the presence of polyhydric alcohols with acid catalysis was written by Zhang, Yan;Wang, Huile;Zhao, Huifang;Liu, Zhong;Huang, Jingjun;Yang, Yujie;Chen, Yu. And the article was included in BioResources in 2022.Quality Control of 3-Amino-2,6-dimethoxypyridine This article mentions the following:

Atm. liquefaction technol. has been used widely and is an effective way of biomass component utilization. In this paper, the liquefied products obtained from corn stalk using polyhydric alcs. 1,2-propanediol (PG) mixed diethylene glycol (DEG) through acid catalysis under atm. pressure were characterized by various anal. technologies. The results indicated that 39 kinds of organic compounds were present in bio-oil, among which alcs. were the most, phenols were the second, and their relative contents were 70.7% and 25.6%, resp. There were also some organic acids, ethers, esters, and ketones. More than 80% of these compounds had a carbon number less than 25. Carbon NMR spectra (13C-NMR) showed that different chem. shifts δ (ppm) corresponded to various carbon types. The chem. composition of the residue from liquefaction was complex and contained a certain amount of large mol. substances that were difficult to degrade. It required more severe pyrolysis conditions than those of corn stalk. Results from X-Ray Diffraction (XRD) indicated the destruction of crystalline structure of carbohydrates and the cellulose mols. were cracked, indicating that the cellulose was degraded and the degree of liquefaction was high. In the experiment, the researchers used many compounds, for example, 3-Amino-2,6-dimethoxypyridine (cas: 28020-37-3Quality Control of 3-Amino-2,6-dimethoxypyridine).

3-Amino-2,6-dimethoxypyridine (cas: 28020-37-3) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Quality Control of 3-Amino-2,6-dimethoxypyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem