Month: October 2022

Luo, Yun-Cheng; Tong, Fei-Fei; Zhang, Yanxia; He, Chun-Yang; Zhang, Xingang published the artcile< Visible-Light-Induced Palladium-Catalyzed Selective Defluoroarylation of Trifluoromethylarenes with Arylboronic Acids>, Application of C6H4F3N, the main research area is trifluoromethylarene arylboronic acid palladium defluoroarylation cross coupling oxidative addition; diaryldifluoromethane preparation selective photochem.

An unprecedented excited-state palladium catalysis strategy for selective defluoroarylation of trifluoromethylarenes with arylboronic acids was reported. This visible-light-induced palladium-catalyzed cross-coupling proceeded under mild reaction conditions and allowed transformation of a variety of arylboronic acids and ArCF3. Preliminary mechanistic studies revealed that the oxidative addition of the C(sp3)-F bond in ArCF3 to excited-state palladium(0) via a single electron transfer pathway is responsible for the C(sp3)-F bond activation.

Journal of the American Chemical Society published new progress about Aralkyl fluorides Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Application of C6H4F3N.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Manuel Ledo, J.; Flores, Henoc; Ramos, Fernando; Freitas, Vera L. S.; Ribeiro da Silva, Maria D. M. C. published the artcile< MatThermochemical study to assess the energetical and structural effects of nitro substituents in methyl benzoate isomers>, Formula: C7H7NO2, the main research area is methyl nitrobenzoate nitro substituent effect thermochem property.

Combined exptl. and computational studies were performed aiming the anal. of energetic properties vs structural characteristics of three Me nitrobenzoate isomers (Me 2-nitrobenzoate, M2NB, Me 3-nitrobenzoate, M3NB, Me 4-nitrobenzoate, M4NB). The exptl. studies include the determination of the enthalpy of formation in the condensed state (crystal and liquid) of the compounds by static combustion, and the determination of enthalpies of phase transition, using Differential Scanning Calorimetry, high temperature Calvet microcalorimetry and the Knudsen effusion method. These data were combined to derive the enthalpy of formation of the Me nitrobenzoate isomers in the gaseous phase, at T = 298.15 K. At the computational level, the gas-phase enthalpy of formation of the Me nitrobenzoate isomers were estimated using theor. approaches, resorting to the G3(MP2)//B3LYP composite method and to appropriate hypothetical gas-phase reactions. The enthalpies of formation obtained exptl. and computationally will be discussed and the energetic-structural synergies for the three Me nitrobenzoate, along with other analogous isomers, will be also analyzed.

Journal of Chemical Thermodynamics published new progress about Combustion. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Xiaojuan; Zhang, Qiang; Zhang, Weigang; Wang, Yi; Pan, Yi published the artcile< Decarboxylative Alkylation of Heteroarenes Using N-Hydroxybenzimidoyl Chloride Esters>, Recommanded Product: 3-(Trifluoromethyl)pyridine, the main research area is heteroarene hydroxybenzimidoyl chloride ester decarboxylative alkylation.

Functionalized N-heteroarenes are highly desired motifs in medicinal chem. and pharmaceutical industry. Minisci-type reactions usually require a protonated N-heteroarene for the alkyl radical to attack. This work describes a leaving-group-assisted redox-active ester to enable direct coupling of an amino acid with N-heteroarenes. The efficient and sustainable photoredox strategy provides rapid access to an alkylated heterocyclic manifold.

Journal of Organic Chemistry published new progress about Alkylation (decarboxylative). 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Recommanded Product: 3-(Trifluoromethyl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Moon, Yonghoon; Lee, Wooseok; Hong, Sungwoo published the artcile< Visible-Light-Enabled Ortho-Selective Aminopyridylation of Alkenes with N-Aminopyridinium Ylides>, Electric Literature of 93-60-7, the main research area is blue LED ortho selective aminopyridylation alkene aminopyridinium ylide.

By utilizing an underexplored reactivity mode of N-aminopyridinium ylides, we developed the visible-light-induced ortho-selective aminopyridylation of alkenes via radical-mediated 1,3-dipolar cycloaddition The photocatalyzed single-electron oxidation of N-aminopyridinium ylides generates the corresponding radical cations that enable previously inaccessible 1,3-cycloaddition with a broader range of alkene substrates. The resulting cycloaddition adducts rapidly undergo subsequent homolytic cleavage of the N-N bond, conferring a substantial thermodn. driving force to yield various β-aminoethylpyridines. Remarkably, amino and pyridyl groups can be installed into both activated and unactivated alkenes with modular control of ortho-selectivity and 1,2-syn-diastereoselectivity under metal-free and mild conditions. Combined exptl. and computational studies are conducted to clarify the detailed reaction mechanism and the origins of site selectivity and diastereoselectivity.

Journal of the American Chemical Society published new progress about 1,3-Dipolar cycloaddition catalysts. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Electric Literature of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mei, Tian-Sheng; Werner, Erik W.; Burckle, Alexander J.; Sigman, Matthew S. published the artcile< Enantioselective Redox-Relay Oxidative Heck Arylations of Acyclic Alkenyl Alcohols using Boronic Acids>, SDS of cas: 1416819-91-4, the main research area is acyclic alkenol arylboronic acid enantioselective regioselective oxidative Heck arylation; aryl aldehyde stereoselective preparation; ketone aryl stereoselective preparation.

A general, highly selective asym. redox-relay oxidative Heck reaction using achiral or racemic acyclic alkenols and boronic acid derivatives is reported. This reaction delivers remotely functionalized arylated carbonyl products from acyclic alkenol substrates, with excellent enantioselectivity under mild conditions, bearing a range of useful functionality. A preliminary mechanistic investigation suggests that the regioselectivity of the initial migratory insertion is highly dependent on the electronic nature of the boronic acid and more subtle electronic effects of the alkenyl alc.

Journal of the American Chemical Society published new progress about Aldehydes Role: SPN (Synthetic Preparation), PREP (Preparation) (aralkyl). 1416819-91-4 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, SDS of cas: 1416819-91-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Arora, Santosh; Talwar, Dinesh; Singh, Manjeet; Sahoo, Subash C.; Sharma, Rohit published the artcile< Second sphere coordination in orthonitrophenolate binding: Synthesis, biological, cytotoxic and X-ray structural studies of [Co(bpy)2CO3](C6H4NO3)·3H2O>, Computed Properties of 366-18-7, the main research area is crystal structure cobalt bipyridine carbonato orthonitrophenolate; cobalt bipyridine carbonato nitrophenolate preparation cytotoxic antimicrobial activity.

A new Co (III) complex salt [Co(bpy)2CO3](ONP)·3H2O (1) where ONP = orthonitrophenolate/C6H4NO3 was synthesized to explore [Co(bpy)2CO3]+ cation as a new host for orthonitrophenolate anion. The newly synthesized complex salt was then characterized by elemental anal., spectroscopic techniques (UV-Visible, FTIR, 1H NMR) and solubility product measurement. Single crystal x-ray structure studies of 1 revealed one 2-nitrophenolate anion, one [Co(bpy)2CO3]+cation and three H2O mols. of crystallization in the solid state. The structural studies revealed that a strong network of H bonding interactions O-H···O (water/phenolate), O-H···O (water/H2O), O-H···O (water/carbonate) stabilize the crystal lattice. Newly synthesized complex 1 was scrutinized for antimicrobial activity and the results revealing a modest activity. The synthesized compound was screened for anticancer activity against PANC-1 cells using MTT colorimetric assay.

Journal of Molecular Structure published new progress about Antibacterial agents. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Computed Properties of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bahmani, Pegah; Maleki, Afshin; Rezaee, Reza; Mahvi, Amir Hossein; Khamforoush, Mehrdad; Dehestani Athar, Saeed; Daraei, Hiua; Gharibi, Fardin; McKay, Gordon published the artcile< Arsenate removal from aqueous solutions using micellar-enhanced ultrafiltration>, Quality Control of 123-03-5, the main research area is arsenate wastewater treatment micellar enhanced ultrafiltration; Arsenate removal; Micelle optimization; Polyacrylonitrile membrane; Surfactant enhancement; Ultrafiltration.

In this study, arsenate (As-V) removal using micellar enhanced ultrafiltration (MEUF) modified by cationic surfactants was studied by a dead-end polyacrylonitrile (PAN) membrane apparatus The UF membrane has been produced by a phase inversion process. The prepared membrane was characterized and analyzed for morphol. and membrane properties. The influence of operating parameters such as initial concentrations of As-V, surfactants, pH, membrane thickness, and co-existing anions on the removal of As-V, surfactant rejection, and permeate flux have been studied. The exptl. results show that from the two different cationic surfactants used the CPC (cetyl-pyridinium chloride) efficiency (91.7%) was higher than that of HTAB (hexadecyltrimethyl-ammonium bromide) (83.7%). The highest As-V removal was 100%, and was achieved using initial feed concentrations of 100-1000μg/L, at pH 7 with a membrane thickness of 150μm in a dead-end filtration system. This efficiency for As-V removal was similar to that obtained using a cross-flow system. Nevertheless, this flux reduction was less than the reduction achieved in the dead-end filtration process. The PAN fabricated membrane in comparison to the RO and NF processes selectively removed the arsenic and the anions, in the water taken from the well, and had no substantial effect on the cations.

Journal of Environmental Health Science and Engineering published new progress about Cationic surfactants. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Quality Control of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Husain, Sajid; Krishnamurthy, A. S. R.; Sarma, P. Nageswara published the artcile< Separation and identification of chloropyridine isomers and quantitative determination of pentachloropyridine in chlorinated pyridine residues by gas chromatography-mass spectrometry>, Formula: C5HCl4N, the main research area is chloropyridine gas chromatog mass spectrometry.

Chloropyridine isomers (2,3,5-trichloropyridine 2,4,6-trichloropyridine, 2,3,4,6-tetrachloropyridine. 2,3,5,6-Tetrachloropyridine, and pentachloropyridine) were separated and identified by gas chromatog.-mass spectrometry in chlorinated pyridine residue. Stainless steel columns packed with 3% or 10% DEGA on Chromosorb WAW or PAW were used. Chloropyridine are intermediates in the preparation of pesticides, herbicides, dyes, pharmaceuticals, and plastics.

Journal of Chromatography published new progress about 14121-36-9. 14121-36-9 belongs to class pyridine-derivatives, and the molecular formula is C5HCl4N, Formula: C5HCl4N.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Seo, Hyun Wook; Seo, Joon Pyung; Cho, Yuri; Ko, Eunkyong; Kim, Yoon Jun; Jung, Guhung published the artcile< Cetylpyridinium chloride interaction with the hepatitis B virus core protein inhibits capsid assembly>, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride, the main research area is cetylpyridinium chloride hepatitis virus protein capsid assembly; Antiviral; Capsid assembly inhibitor; Cetylpyridinium chloride (CPC); Drug synergism; Hepatitis B virus (HBV).

Hepatitis B virus (HBV) infection is a major risk factor for chronic liver disease, cirrhosis, and hepatocellular carcinoma (HCC) worldwide. While multiple hepatitis B drugs have been developed, build up of drug resistance during treatment or weak efficacies observed in some cases have limited their application. Therefore, there is an urgent need to develop substitutional pharmacol. agents for HBV-infected individuals. Here, we identified cetylpyridinium chloride (CPC) as a novel inhibitor of HBV. Using computational docking of CPC to core protein, microscale thermophoresis anal. of CPC binding to viral nucleocapsids, and in vitro nucleocapsid formation assays, we found that CPC interacts with dimeric viral nucleocapsid protein (known as core protein or HBcAg) specifically. Compared with other HBV inhibitors, such as benzenesulfonamide (BS) and sulfanilamide (SA), CPC achieved significantly better reduction of HBV particle number in HepG2.2.15 cell line, a derivative of human HCC cells that stably expresses HBV. CPC also inhibited HBV replication in mouse hydrodynamic model system. Taken together, our results show that CPC inhibits capsid assembly and leads to reduced HBV biogenesis. Thus, CPC is an effective pharmacol. agent that can reduce HBV particles.

Virus Research published new progress about Animal gene, CYP2D6 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Peez, Theodor; Schmalz, Veronika; Harms, Klaus; Koert, Ulrich published the artcile< Synthesis of Naphthocyclobutenes from α-Naphthyl Acrylates by Visible-Light Energy-Transfer Catalysis>, Category: pyridine-derivatives, the main research area is naphthocyclobutene stereoselective preparation; iridium photocatalyst stereoselective photocyclization naphthylacrylate; visible light energy transfer catalysis stereoselective photocyclization naphthylacrylate.

Me (α-naphthyl)acrylates bearing an ortho-substituent with a hydrogen atom such as I produce naphthocyclobutenes such as II by photocyclization in the presence of the iridium photocatalyst Ir(Fppy)3 under blue LED irradiation This reaction can be described as a carbon analog of the Norrish-Yang reaction; upon triplet excitation of the acrylate, 1,5-hydrogen atom transfer occurs to form a 1,4-diradical which cyclizes to form a cyclobuta-fused arene. In five of six cases where stereoselectivity was possible, the products were formed with diastereoselectivities up to >20:1.

Organic Letters published new progress about Cyclization catalysts, stereoselective (photo-). 370878-69-6 belongs to class pyridine-derivatives, and the molecular formula is C33H21F3IrN3, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem