Day: January 30, 2023

Synthesis, crystal structure and fluorescence of a three-dimensional Cd(II) coordination polymer [Cd(μ_1,3-SCN^–)₂(μ-dmpo)]_n (dmpo = 3,5-dimethylpyridine N-oxide) was written by Shi, Jing-Min;Zhang, Feng-Xia;Huang, Jie;Liu, Lian-Dong. And the article was included in Chinese Journal of Structural Chemistry in 2006.Related Products of 3718-65-8 This article mentions the following:

A three-dimensional complex, [Cd(μ_1,3-SCN)₂(dmpo)]_n, was synthesized with μ_1,3-SCN^– and 3,5-dimethylpyridine N-oxide (dmpo) as mixed bridge ligands. The crystal belongs to monoclinic, space group C2/c with a 15.648(2), b 15.126(2), c 11.9773(15) Å, β 112.416(2)°, Z = 8, C₉H₉CdN₃OS₂, M_r = 351.71, d_c = 1.783 g/cm³, F(000) = 1376 and μ = 1.967 mm^-1. The structure was refined to R = 0.0260 and R_w = 0.0647 for 2186 observed reflections (1 > 2σ(I)). In the crystal the Cd(II) ions are coordinated by μ_1,3-SCN^– bridge ligands to form the crossing chains on the adjacent planes, and these chains are further joined by μ-dmpo mono-dentate bridge ligands leading to a three-dimensional structure. The complex exhibits a strong fluorescent emission. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Related Products of 3718-65-8).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) 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.Related Products of 3718-65-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Two new inorganic-organic hybrid compounds templated by SiW₁₂O^4-₄₀ anion with nonlinear ligands was written by Wang, Xiu-Li;Hu, Hai-Liang;Chen, Bao-Kuan;Lin, Hong-Yan;Tian, Ai-Xiang;Li, Jin. And the article was included in Solid State Sciences in 2011.Safety of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole This article mentions the following:

Two new Keggin-type polyoxoanion-templated inorganic-organic hybrids, [Cu(3,4-bpo)₂(H₂O)(SiW₁₂O₄₀)]·(3,4-H₂bpo)·7H₂O (1) and [Cu(4,4′-Hbpo)₂(4,4′-bpo)(H₂O)(SiW₁₂O₄₀)]·3H₂O (2) (3,4-bpo = 2-(3-pyridyl)-5-(4-pyridyl)-1,3,4-oxadiazole, 4,4′-bpo = 2,5-bis(4-pyridyl)-1,3,4-oxadiazole), were hydrothermally synthesized by changing the terminal N-donor’s orientation of the nonlinear ligands. X-ray structural analyses indicate that compound 1 shows a two-dimensional (2D) (4,4) grid sheet. The discrete SiW₁₂O₄₀^4- anions as templates locate on the square voids of the sheet. Compound 2 exhibits an arm-shaped chain structure. It is believed that the isomeric organic ligands play a key role in the structure control of the self-assembly processes. Also, compound 1 bulk-modified carbon paste electrode (1-CPE) displays good electrocatalytic activity toward the reduction of nitrite. In the experiment, the researchers used many compounds, for example, 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7Safety of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole).

2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7) 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. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Safety of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Inhibition of 1-Deoxy-d-Xylulose-5-Phosphate Reductoisomerase by Lipophilic Phosphonates: SAR, QSAR, and Crystallographic Studies was written by Deng, Lisheng;Diao, Jiasheng;Chen, Pinhong;Pujari, Venugopal;Yao, Yuan;Cheng, Gang;Crick, Dean C.;Prasad, B. V. Venkataram;Song, Yongcheng. And the article was included in Journal of Medicinal Chemistry in 2011.Electric Literature of C8H8BrNO2 This article mentions the following:

1-Deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) is a novel target for developing new antibacterial (including antituberculosis) and antimalaria drugs. Forty-one lipophilic phosphonates, representing a new class of DXR inhibitors, were synthesized, among which 5-phenylpyridin-2-ylmethylphosphonic acid possesses the most activity against E. coli DXR (EcDXR) with a K_i of 420 nM. Structure-activity relationships (SAR) are discussed, which can be rationalized using our EcDXR:inhibitor structures, and a predictive quant. SAR (QSAR) model is also developed. Since inhibition studies of DXR from Mycobacterium tuberculosis (MtDXR) have not been performed well, 48 EcDXR inhibitors with a broad chem. diversity were found, however, to generally exhibit considerably reduced activity against MtDXR. The crystal structure of a MtDXR:inhibitor complex reveals the flexible loop containing the residues 198-208 has no strong interactions with the 3,4-dichlorophenyl group of the inhibitor, representing a structural basis for the reduced activity. Overall, these results provide implications in the future design and development of potent DXR inhibitors. In the experiment, the researchers used many compounds, for example, Methyl 2-(5-bromopyridin-2-yl)acetate (cas: 917023-06-4Electric Literature of C8H8BrNO2).

Methyl 2-(5-bromopyridin-2-yl)acetate (cas: 917023-06-4) 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. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Electric Literature of C8H8BrNO2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Methods for assigning confidence to toxicity data with multiple values – Identifying experimental outliers was written by Steinmetz, Fabian P.;Enoch, Steven J.;Madden, Judith C.;Nelms, Mark D.;Rodriguez-Sanchez, Neus;Rowe, Phil H.;Wen, Yang;Cronin, Mark T. D.. And the article was included in Science of the Total Environment in 2014.Computed Properties of C17H30BrN This article mentions the following:

The assessment of data quality is a crucial element in many disciplines such as predictive toxicol. and risk assessment. Currently, the reliability of toxicity data is assessed on the basis of testing information alone (adherence to Good Laboratory Practice (GLP), detailed testing protocols, etc.). Common practice is to take one toxicity data point per compound – usually the one with the apparently highest reliability. All other toxicity data points (for the same experiment and compound) from other sources are neglected. To show the benefits of incorporating the “less reliable” data, a simple, independent, statistical approach to assess data quality and reliability on a math. basis was developed. A large data set of toxicity values to Aliivibrio fischeri was assessed. The data set contained 1813 data points for 1227 different compounds, including 203 identified as non-polar narcotic. Log K_OW values were calculated and non-polar narcosis quant. structure-activity relationship (QSAR) models were built. A statistical approach to data quality assessment, which is based on data outlier omission and confidence scoring, improved the linear QSARs. The results indicate that a beneficial method for using large data sets containing multiple data values per compound and highly variable study data has been developed. Furthermore this statistical approach can help to develop novel QSARs and support risk assessment by obtaining more reliable values for biol. endpoints. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Computed Properties of C17H30BrN).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Computed Properties of C17H30BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

New approach to derivatisation for oestradiol esters detection in animal blood plasma using negative chemical ionisation GC-MS was written by Liskova, Marcela;Cackova, Katarina;Rejtharova, Martina. And the article was included in Food Additives & Contaminants, Part A in 2021.Synthetic Route of C5H6ClN This article mentions the following:

In 1996, the EU prohibited the use of substances with anabolic action for food-producing animals (EU Directive 96/22/EC). In cases of illegal use of steroid hormones, these substances are usually applied to the animals in the form of esters. The reliable determination of intact steroid esters in animal tissues or body fluids is an unequivocal proof of illegal treatment of animals with EU prohibited anabolic substances. Previously our laboratory developed a sensitive method for determination of oestradiol benzoate and other steroid esters in blood plasma using LC-MS/MS, validated according to Commission Decision 2002/657/EC. This study describes a GC-MS method which has been developed for five oestradiol esters in blood plasma. The sample preparation procedure consisted of protein precipitation, phospholipids removal and cleaning on an alumina column. Oestradiol esters were derivatised with 2, 3, 4, 5, 6-pentafluorobenzoyl chloride (PFBCl) and pyridine in dichloromethane. The measurement of oestradiol esters was carried out by GC-MS/NCI with Cool On-Column injection. Methane was used as a neg. chem. ionisation reagent gas. The method for determination of oestradiol esters in blood plasma has been validated according to Commission Decision 2002/657/EC. Decision limits for all analytes were observed below 0.05 ng mL-1. The method is robust for bovine and porcine plasma analyses and can be applied both for screening and confirmatory determination in routine residue monitoring. In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7Synthetic Route of C5H6ClN).

Pyridinehydrochloride (cas: 628-13-7) 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. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Synthetic Route of C5H6ClN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ruthenium-catalyzed ortho-selective C_Ar-H amination of heteroaryl arenes with di-tert-butyldiaziridinone was written by Gou, Xue-Ya;Li, Yuke;Wang, Xin-Gang;Liu, Hong-Chao;Zhang, Bo-Sheng;Zhao, Jia-Hui;Zhou, Zhao-Zhao;Liang, Yong-Min. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2019.HPLC of Formula: 4373-61-9 This article mentions the following:

Application of an oxidative amination reagent (di-tert-butyldiaziridinone) to the Ru₃(CO)₁₂-catalyzed ortho-selective CAr-H amination reaction was described. This strategy showed good functional group compatibility with various phenyl-substituted N-heterocycles, including biol. active substrates, thus providing synthetic potential for this methodol. Mechanistic studies showed that the reaction process involves an octahedral ruthenium species, and the carbon monoxide ligand plays a crucial role in the C-H activation. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9HPLC of Formula: 4373-61-9).

2-(m-Tolyl)pyridine (cas: 4373-61-9) 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, 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. HPLC of Formula: 4373-61-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

5-Pyrimidinols: Novel Chain-Breaking Antioxidants More Effective than Phenols was written by Pratt, Derek A.;DiLabio, Gino A.;Brigati, Giovanni;Pedulli, Gian Franco;Valgimigli, Luca. And the article was included in Journal of the American Chemical Society in 2001.Reference of 51834-97-0 This article mentions the following:

On transition from phenol → 3-pyridinol → 5-pyrimidinol the IP increased by 24.3 kcal/mol, but the O-H BDE by only 2.5 kcal/mol (substituent effects were conserved in the 3 series), suggesting that 5-pyrimidinols should be effective H-atom donors that are more stable to air oxidation than similarly substituted phenols. Thus, 2-(dimethylamino)-4,6-dimethyl-5-pyrimidinol was prepared and exhibited a lower O-H BDE and higher IP than α-tocopherol. The 5-pyrimidinols reacted substantially faster with alkyl radicals than the corresponding phenols, and in the reaction with peroxyl radicals the two 5-pyrimidinols evaluated reacted at the same and 1/3 the rate of the corresponding phenol. In the experiment, the researchers used many compounds, for example, 5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0Reference of 51834-97-0).

5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0) 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. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Reference of 51834-97-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Degree of water structuring and its influence on processes of micelle formation and adsorption of surfactants was written by Klimenko, N. A.;Karmazina, T. V.;Kochkodan, O. D.. And the article was included in Ukrainskii Khimicheskii Zhurnal (Russian Edition) in 2001.Synthetic Route of C17H30BrN This article mentions the following:

Method of quasi-elastic slow neutron scattering was used for the determination of the self-diffusion coefficients of water mols. in nonionic and cationic surfactants solutions An alteration of the degree of water structuring in a solution of nonionic surfactant (Triton X-100) takes place at the concentration far lesser than that for an aqueous solution of a cationic surfactant (dodecylpyridinium bromide). This is due to a cooperative influence of a hydrophobic radical and of the length of a hydrophilic chain. A different effect on the degree of water structuring results in a different value of the critical concentration of micellization and in the formation of adsorption structures of different composition for these compounds In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Synthetic Route of C17H30BrN).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. 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.Synthetic Route of C17H30BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In silico cytotoxicity estimation of ionic liquids based on their two- and three-dimensional structural descriptors was written by Fatemi, Mohammad H.;Izadiyan, Parisa. And the article was included in Monatshefte fuer Chemie in 2011.Formula: C7H7ClN2 This article mentions the following:

The cytotoxicity of a series of ionic liquids containing ammonium, pyrrolidinium, imidazolium, pyridinium, and piperidinium cations against leukemia rat cell line IPC-81 was estimated from their structural parameters using quant. structure-activity relationship methodol. Linear and nonlinear models were developed using genetic algorithm multiple linear regression and multilayer perceptron neural network approaches. Robustness and reliability of the constructed models were evaluated by internal, external, and Y-randomization procedures. Furthermore, the chem. applicability domain was determined via a leverage approach for each model. The results of this study revealed that the contribution of structural characteristics of the anionic parts of the studied ILs were fewer than of the cationic parts. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3Formula: C7H7ClN2).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) 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. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Formula: C7H7ClN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rhodium-Catalyzed Synthesis of Multiaryl-substituted Naphthols via a Removable Directing Group was written by Wang, Lianhui;Yu, Yunliang;Yang, Mengqi;Kuai, Changsheng;Cai, Dingding;Yu, Jinfeng;Cui, Xiuling. And the article was included in Advanced Synthesis & Catalysis in 2017.SDS of cas: 4783-68-0 This article mentions the following:

Arene homologation employing internal alkynes ArCCAr (Ar = 4-methylphenyl, 3-fluorophenyl, 4-acetylphenyl, etc.) as coupling partners and 2-pyridyloxyl as directing group through dual C-H bond functionalization was accomplished using (pentamethylcyclopentadienyl)-rhodium(III) chloride dimer as a pre-catalyst. This protocol proved tolerant of synthetically valuable functional groups, and provided an expeditious access to highly congested naphthalene derivatives, e.g., I in moderate to good yields. Furthermore, the pyridyl moiety could be removed to furnish the versatile (OH)-free naphthols II (Ar = Ph, 3-fluorophenyl; R = H, 2-Me, 3-Me, 4-F). In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0SDS of cas: 4783-68-0).

2-Phenoxypyridine (cas: 4783-68-0) 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. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.SDS of cas: 4783-68-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem