Category: 350-03-8

Ju, Zhao-Yang; Song, Li-Na; Chong, Ming-Ben; Cheng, Dang-Guo; Hou, Yang; Zhang, Xi-Ming; Zhang, Qing-Hua; Ren, Lan-Hui published the artcile< Selective Aerobic Oxidation of Csp3-H Bonds Catalyzed by Yeast-Derived Nitrogen, Phosphorus, and Oxygen Codoped Carbon Materials>, HPLC of Formula: 350-03-8, the main research area is ketone ester preparation green chem regioselective; carbon hydrogen bond activation aerobic oxidation; yeast nitrogen phosphorus oxygen codoped carbon material catalyst.

Nitrogen, phosphorus and oxygen codoped carbon catalysts were successfully synthesized using dried yeast powder as pyrolysis precursor. The yeast-derived heteroatom-doped carbon (yeast@C) catalysts exhibited outstanding performance in the oxidation of Csp3-H bonds to ketones and esters giving excellent products yields (up to 98% yield) without organic solvents at low O2 pressure (0.1 MPa). The catalytic oxidation protocol exhibited broad range of substrates (38 examples) with good functional group tolerance, excellent regioselectivity and synthetic utility. The yeast-derived heteroatom-doped carbon catalysts showed good reusability and stability after recycle six times without any significant loss of activity. Exptl. results and DFT calculations proved the important role of N-oxide (N+-O-) on the surface of yeast@C and a reasonable carbon radical mechanism.

Journal of Organic Chemistry published new progress about C-H bond activation. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, HPLC of Formula: 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pan, Xiaolin; Wang, Hao; Li, Cuiyu; Zhang, John Z. H.; Ji, Changge published the artcile< MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network>, Related Products of 350-03-8, the main research area is web server MolGpka small mol pKa prediction neural network.

PKa is an important property in the lead optimization process since the charge state of a mol. in physiol. pH plays a critical role in its biol. activity, solubility, membrane permeability, metabolism, and toxicity. Accurate and fast estimation of small mol. pKa is vital during the drug discovery process. We present MolGpKa, a web server for pKa prediction using a graph-convolutional neural network model. The model works by learning pKa related chem. patterns automatically and building reliable predictors with learned features. ACD/pKa data for 1.6 million compounds from the ChEMBL database was used for model training. We found that the performance of the model is better than machine learning models built with human-engineered fingerprints. Detailed anal. shows that the substitution effect on pKa is well learned by the model. MolGpKa is a handy tool for the rapid estimation of pKa during the ligand design process. The MolGpKa server is freely available to researchers and can be accessed at https://xundrug.cn/molgpka.

Journal of Chemical Information and Modeling published new progress about Aliphatic acids Role: PRP (Properties), THU (Therapeutic Use), BIOL (Biological Study), USES (Uses). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Related Products of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hageman, Jeske H. J.; Nieuwenhuizen, Arie G.; van Ruth, Saskia M.; Hageman, Jos A.; Keijer, Jaap published the artcile< Application of Volatile Organic Compound Analysis in a Nutritional Intervention Study: Differential Responses during Five Hours Following Consumption of a High- and a Low-Fat Dairy Drink>, Related Products of 350-03-8, the main research area is volatile organic compound fat dairy drink; breath analysis; breathomics; inter- and intraindividual variation; lipids; volatile organic compounds (VOCs).

Scope : Exhaled volatile organic compounds (VOCs) are a possible relevant target for noninvasive assessment of metabolic responses. Using a breathomics approach, it is aimed to explore whether lipid intake influences VOC profiles in exhaled air, and to obtain insight in intra- and interindividual variations. Methods and results : Three human interventions are performed. In the first, 12 males consume a high-fat drink on three study days. In the second, 12 males receive a high- and a low-fat drink on 6 days. In the third, three volunteers consume the high-fat drink again for tentative compound identification. Participants are asked to exhale, for 5 h postprandial with 15-20 min intervals, into a proton-transfer-reaction mass spectrometer, and VOCs in exhaled air are measured. Consumption of a drink alters the VOC profile, with considerable interindividual variation and quant. intraindividual differences between days. Consumption of two different drinks results in a distinct VOC profile, caused by several specific m/z values. Most of these compounds are identified as being related to ketone body formation and lipid oxidation, showing an increase in high- vs. low-fat drink. Conclusion : Exhaled VOCs have the potential to assess differences in metabolic responses induced by nutrition, especially when day-to-day variation can be minimized.

Molecular Nutrition & Food Research published new progress about Beverages. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Related Products of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Guoqi; Li, Sihan; Zeng, Haisu; Zheng, Shengping; Neary, Michelle C. published the artcile< Diplumbane-catalysed solvent- and additive-free hydroboration of ketones and aldehydes>, Application In Synthesis of 350-03-8, the main research area is alc preparation chemoselective; ketone aldehyde pinacolborane hydroboration diplumbane catalyst.

A new diplumbane, namely [Pb(CH2SiMe3)3]2, was synthesized and structurally characterized. This group 14 element compound was found to catalyze the hydroboration of ketones R1C(O)R2 (R1 = Ph, 4-fluorophenyl, naphthalen-2-yl, pyridin-3-yl, cyclohexyl, etc.; R2 = H, Me, cyclopropyl, 2-phenylethyl) and aldehydes R3CHO (R3 = Ph, 4-chlorophenyl, 2H-1,3-benzodioxol-5-yl, 2-(methylsulfanyl)phenyl, etc.) under mild conditions without the use of additives and solvents, leading to the synthesis of a range of alcs. R1CH(OH)R2/R3CH2OH in high yields after hydrolysis.

RSC Advances published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application In Synthesis of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Howlader, Prodip; Ahmed, Shakil; Mondal, Surajit; Zangrando, Ennio; Mukherjee, Partha Sarathi published the artcile< Conformation-Selective Self-Assembly of Pd6 Trifacial Molecular Barrels Using a Tetrapyridyl Ligand>, Application of C7H7NO, the main research area is Conformation Selective Self Assembly palladium trifacial mol barrel tetrapyridyl; crystallog NMR Self Assembly palladium trifacial mol barrel tetrapyridyl.

A conformationally flexible tetrapyridyl ligand L was assembled sep. with three cis-blocked 90° PdII acceptors (M1, M2, and M3) containing different blocking diamines. Surprisingly, different conformations of the donor L were arrested by the acceptors depending on the nature of the blocking amine, leading to the formation of isomeric Pd6 barrels (B1, B2, and B3). B2 and B3 with larger windows have been used to encapsulate polyaromatic hydrocarbons.

Inorganic Chemistry published new progress about Conformation. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application of C7H7NO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Yang, Xiao; Sun, Rui; Zhang, Chunchun; Zhang, Yan; Su, Zhishan; Ge, Yicen; Chen, Hua; Fu, Haiyan; Li, Ruixiang published the artcile< Chichibabin-Type Phosphonylation of 2-(Hetero)aryl Pyridines: Selective Synthesis of 4-Phosphinoyl Pyridines via an Activated N-Benzylpyridinium Salt>, Related Products of 350-03-8, the main research area is Chichibabin phosphinylation phosphonylation benzylpyridinium hydrophosphonate preparation pyridylphosphine oxide pyridylphosphonate; metal free base catalyzed regioselective phosphinylation benzylpyridinium hydrophosphonate; potential energy surface mechanism phosphinylation phosphonylation benzylpyridinium hydrophosphonate.

A direct C-H phosphonylation of 2-aryl-N-benzylpyridinium salts by N-benzylating activation is reported, which afforded 4-pyridylphosphine oxides with high regioselectivity, without the employment of metal catalyst or expensive activator. By increasing the electrophilicity of pyridinium with electron-withdrawing substituents on the N-benzyl group, the phosphonylation process could be realized at room temperature Control experiments and NMR investigation confirmed the interaction between DBU and diphenylphosphine oxide which generated the true phosphorus nucleophile. Moreover, DFT calculations offered enough insight into an intermol. cooperative dehydrogenation-debenzylation mechanism, which helped to elucidate the origin of C4-regioselectivity in this metal-free Chichibabin-type phosphonylation.

Advanced Synthesis & Catalysis published new progress about Benzylation. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Related Products of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Song, J. H.; Bae, S. M.; Lee, E. J.; Cho, J. H.; Jung, D. I. published the artcile< Formation of benzodiazepines and pyrazinylquinoxalines from aromatic and heteroaromatic ketones via deoximation>, Quality Control of 350-03-8, the main research area is benzodiazepine preparation; pyrazinylquinoxaline preparation.

In the course of present investigations, it was found that dichloroamine T could be an efficient reagent for the conversion of oximes into the corresponding carbonyl compounds Herein the synthesis of 1H-1,5-benzodiazepine derivatives I [R = pyrrol-2-yl, 2-pyridinyl, 2-thienyl, etc.] from heteroaromatic ketones and acetone equivalent was obtained using dichloroamine-T. On the other hand, when diamine (1,2-phenylene diamine or 1,2-naphthalene diamine) with heterocyclic ketone (acetyl pyridine or acetyl pyrazines) in the presence of concentrate HCl and SiO2 was refluxed, quinoxaline derivatives, II [R = 2-pyrazinyl, 2-pyridinyl, 2-thienyl, etc.] as yellow crystalline solids were isolated in high yields.

Asian Journal of Chemistry published new progress about Benzodiazepines Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Quality Control of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ranjbar, Hoda; Soti, Monavareh; Janahmadi, Mahyar; Kohlmeier, Kristi A.; Sheibani, Vahid; Ahmadi-Zeidabadi, Meysam; Shabani, Mohammad published the artcile< Modulation of the CB1 cannabinoid receptor has potential therapeutic utility in the 3-acetylpyridine cerebellar ataxia rat model>, Formula: C7H7NO, the main research area is cannabinoid receptor acetylpyridine cerebellar ataxia therapeutic potential; CB1 receptor; Cannabinoid; Cerebellar ataxia; Purkinje cell.

Cerebellar ataxia is a neurodegenerative disorder leading to severe motor incoordination. Recently, it has been suggested that cannabinoids play a role in modulating ataxic symptoms. To understand the possible therapeutic effect of cannabinoids for the management of cerebellar ataxia, we used cannabinoid agonist/antagonists to target the cannabinoid type 1 receptor (CB1R) in the 3 acetyl pyridine (3AP) rat model of ataxia. The role of the CB1R was examined using three different doses of the CB1R agonist, WIN-55,212-2 (WIN; 0.1, 0.5, 1 mg/kg) administrated 30 min prior to 3AP (55 mg/kg, i.p.) which leads to motor impairment through destruction of the inferior olive. In some groups, the CB1R antagonist AM251 (1 mg/kg) was given in combination with WIN. Locomotor activity and motor coordination were impaired by 3AP, and the application of WIN did not ameliorate this effect. However, the abnormal gait, rearing and grooming caused by 3AP were prevented by co-administration of AM251 with WIN. While the addition of the CB1R antagonist improved some ataxic symptoms, there was no effect of AM251 on balance or locomotor activity when co-administrated with WIN. Behavioral testing indicated that not only did WIN fail to exert any protective effect on ataxic symptoms; it exacerbated ataxic symptoms, suggesting that CB1R agonists may not be the ideal therapeutic drug in this disorder. When taken together, the findings from the present study indicate that cannabinoid modulation of ataxia symptoms may not act solely through CB1Rs and other cannabinoid receptors should be considered in future studies.

Experimental Brain Research published new progress about Cannabinoid receptor 1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Formula: C7H7NO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chen, Dong-Mei; Wu, Xiao-Fan; Liu, Yong-Jie; Huang, Chao; Zhu, Bi-Xue published the artcile< Synthesis, crystal structures and vapor adsorption properties of Hg(II) and Cd(II) coordination polymers derived from two hydrazone Schiff base ligands>, Electric Literature of 350-03-8, the main research area is cadmium mercury Schiff aminobenzoylhydrazide acetylpyridine complex preparation gas adsorption; crystal structure cadmium mercury Schiff aminobenzoylhydrazide acetylpyridine complex.

Four coordination polymers, [HgL1Br2]n (1), {[Cd(L1)2Cl2]·2CH3OH}n (2), [HgL2Cl2]n (3) and [Cd(L2)2Cl2]n (4), were synthesized and characterized from two hydrazone Schiff base ligands (L1 and L2) with mercury(II) or cadmium(II) halide, resp. In complexes 1 and 3, each mercury(II) center is five-coordinated with distorted square pyramidal geometry in 1-dimensional coordination polymers. In complexes 2 and 4, each cadmium(II) center is six-coordinated with slightly distorted octahedral geometry in 1-dimensional looped-chain structures. The ligands show different coordination sites in the formation of coordination polymers. In complexes 2, 3 and 4, the ligands coordinate to the metal centers by pyridine nitrogen atoms and amino nitrogen atoms, whereas in complex 1 it coordinates by pyridine nitrogen atoms and carbonyl oxygen atoms instead of amino nitrogen atoms.

Inorganica Chimica Acta published new progress about Crystal structure. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Electric Literature of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Slepukhin, P. A.; Boltacheva, N. S.; Filyakova, V. I.; Charushin, V. N. published the artcile< Synthesis and structure of lithium 3-trifluoromethyl-1,3-diketonates containing pyridyl substituents>, Electric Literature of 350-03-8, the main research area is lithium fluoromethyldiketonate preparation crystal structure.

Lithium 3-trifluoromethyl-1,3-diketonates containing pyridyl substituents were synthesized. The specific features of the crystal structures of Li (Z)-1,1,1-trifluoro-4-oxo-4-(pyridin-3-yl)- and (Z)-1,1,1-trifluoro-4-oxo-4-(pyridin-4-yl)but-2-en-2-olates were revealed by x-ray diffraction. These compounds have a polymeric structure with Li cations in different coordination modes. The 1,3-diketonate group is involved in chelation and formation of O bridges, thereby linking two types of Li atoms.

Russian Chemical Bulletin published new progress about Crystal structure. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Electric Literature of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem