Day: October 13, 2022

Zhang, Chun; Tutkowski, Brandon; DeLuca, Ryan J.; Joyce, Leo A.; Wiest, Olaf; Sigman, Matthew S. published the artcile< Palladium-catalyzed enantioselective Heck alkenylation of trisubstituted allylic alkenols: a redox-relay strategy to construct vicinal stereocenters>, Safety of (S)-4-(tert-Butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole, the main research area is alkenyl aldehyde ketone preparation enantioselective diastereoselective; allylic alkenol alkenyl triflate redox relay Heck palladium catalyst.

An enantioselective, redox-relay Heck alkenylation of trisubstituted allylic alkenol substrates with alkenyl triflates was developed to afford alkenyl aldehydes/ketones e.g., I. This process enabled the construction of vicinal stereocenters in high diastereo- and enantioselectivity and allowed the formation of enolizable α-carbonyl methyl-substituted stereocenters with no observed epimerization under the reported reaction conditions.

Chemical Science published new progress about Alkenals Role: SPN (Synthetic Preparation), PREP (Preparation). 1416819-91-4 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, Safety of (S)-4-(tert-Butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dhankhar, Priyanka; Bedi, Manisha; Khanagwal, Jyoti; Taxak, Vinod B.; Khatkar, Satyender P.; Doon, Priti Boora published the artcile< Photoluminescent report on red light emitting europium(III) complexes with heterocyclic acid>, Recommanded Product: 2,2′-Bipyridine, the main research area is red light emitting europium complex heterocyclic acid photoluminescence.

Five luminescent europium (III) carboxylate complexes have been synthesized by using ligand 3-isopropylpyrazole-5-carboxylic acid as primary ligand and 4,4′-dimethyl-2,2′-bipyridyl, 2,2′-bipyridyl, 5,6-dimethyl-1,10-phenanthroline and 1,10-phenanthroline as secondary ligands and characterized through various techniques. These complexes exhibit excellent thermal stability and characteristic europium centered photoemission spectra under the excitation of UV light. Luminescence decay curves, Judd-Ofelt anal., internal quantum efficiency and energy transfer mechanism have also been discussed. The color coordinates and color purity are calculated to investigate red emission of the complexes. The study results reveal that these complexes can be potentially used as red light emitting materials in various optoelectronic devices.

Spectroscopy Letters published new progress about Energy transfer. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Recommanded Product: 2,2′-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chitti, Surendar; Pulya, Sravani; Nandikolla, Adinarayana; Patel, Tarun Kumar; Karan Kumar, Banoth; Murugesan, Sankaranarayanan; Ghosh, Balaram; Sekhar, Kondapalli Venkata Gowri Chandra published the artcile< Design, synthesis and biological evaluation of 7-(5-((substituted - amino)-methyl)-thiophen-2-yl)-spiro-[chroman-2,4'-piperidin]-4-one hydrochloride analogues as anticancer agents>, Recommanded Product: 3-(Aminomethyl)-6-(trifluoromethyl)pyridine, the main research area is spiro chromanpiperidinone hydrochloride preparation antitumor SAR ADME; Anticancer; Apoptosis; Cytotoxicity; Spiro-[chroman–2,4′–piperidin]–4–one.

A series of thirty-one novel 7-(5-((amino)-methyl)-thiophen-2-yl)-spiro-[chroman-2,4′-piperidin]-4-one analogs I (R = isopropylamine, tert-butylamine, 3,3-dimethylbutylamine, etc.) have been designed and synthesized as their hydrochloride salts. Here, the anticancer potential and biol. results of low-mol.-weight bridgehead oxygen and nitrogen-containing spirochromanones on proliferation and apoptosis of the human breast cancer cell line (MCF-7) and murine melanoma (B16F10) is evaluated . The anticancer activity ranged from 2.9 to 35.0μM. The most potent compounds I (R = thiophen-2-yl methanamine, benzyl amine, and Me amine) were found to be less toxic against human embryonic kidney (HEK-293) cell lines. Compounds I (R = benzyl amine and Me amine) were found to be causing significant cytotoxicity through apoptotic cell death and also G2 phase arrest of cell cycle in B16F10 cells. In-silico ADME prediction studies of the titled compounds were found within the rules outlined, and these compounds may not face any pharmacokinetic associated issues in the mere future upon developmental stage. These conjugates may serve as a lead for the discovery of potential anticancer drug candidate with better therapeutic profile.

Bioorganic Chemistry published new progress about Antitumor agents. 387350-39-2 belongs to class pyridine-derivatives, and the molecular formula is C7H7F3N2, Recommanded Product: 3-(Aminomethyl)-6-(trifluoromethyl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dharuman, Suresh; Wallace, Miranda J.; Reeve, Stephanie M.; Bulitta, Jurgen B.; Lee, Richard E. published the artcile< Synthesis and Structure-Activity Relationship of Thioacetamide-Triazoles against Escherichia coli>, Electric Literature of 387350-39-2, the main research area is thioacetamide triazole preparation SAR antibacterial; 1,2,3-triazoles; antibiotics; antimetabolite; gram-negative active compounds.

Infections due to Gram-neg. bacteria are increasingly dangerous due to the spread of multi-drug resistant strains, emphasizing the urgent need for new antibiotics with alternative modes of action. Authors have previously identified a novel class of antibacterial agents, thioacetamide-triazoles, using an antifolate targeted screen and determined their mode of action which is dependent on activation by cysteine synthase A. Herein, authors report a detailed examination of the anti-E. coli structure-activity relationship of the thioacetamide-triazoles. Analogs of the initial hit compounds were synthesized to study the contribution of the aryl, thioacetamide, and triazole sections. A clear structure-activity relationship was observed generating compounds with excellent inhibition values. Substitutions to the aryl ring were generally best tolerated, including the introduction of thiazole and pyridine heteroaryl systems. Substitutions to the central thioacetamide linker section were more nuanced; the introduction of a Me branch to the thioacetamide linker substantially decreased antibacterial activity, but the isomeric propionamide and N-benzamide systems retained activity. Changes to the triazole portion of the mol. dramatically decreased the antibacterial activity, further indicating that 1,2,3-triazole is critical for potency. From these studies, authors have identified new lead compounds with desirable in-vitro ADME properties and in-vivo pharmacokinetic properties.

Molecules published new progress about Acetamides Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses) (Thio). 387350-39-2 belongs to class pyridine-derivatives, and the molecular formula is C7H7F3N2, Electric Literature of 387350-39-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

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