Category: 581-47-5

Hara, Naofumi; Uemura, Nao; Nakao, Yoshiaki published the artcile< C2-Selective silylation of pyridines by a rhodium-aluminum complex>, Related Products of 581-47-5, the main research area is dehydrogenative silylation CH activation pyridine rhodium aluminum heterobimetallic catalyst; Lewis acid rhodium aluminum heterobimetallic complex dehydrogenative silylation catalyst; crystal mol structure rhodium aluminum heterobimetallic complex.

We have developed a C2-selective dehydrogenative mono-silylation of a variety of pyridines using a Rh-Al complex [(R2PCH2N-1,2-C6H4NMe-1,2-C6H4NCH2PR2)AlClRhCl(L)]n (R = Ph, iPr; n = 1, L = nbd; n = 2, L void). Both the site- and mono-selectivity are controlled via the pyridine coordination to the Lewis-acidic Al center prior to the activation of the pyridine C(2)-H bond at the proximal Rh center. A reaction mechanism is proposed based on several mechanistic studies, including the isolation of a (2-pyridyl)silylrhodium intermediate.

Chemical Communications (Cambridge, United Kingdom) published new progress about C-H bond activation. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Related Products of 581-47-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Zi-Chen; Li, Rui-Tao; Ma, Qiang; Chen, Jia-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao published the artcile< Electrochemically enabled rhodium-catalyzed [4+2] annulations of arenes with alkynes>, Application of C10H8N2, the main research area is azaarene internal alkyne rhodium regioselective electrooxidative cycloaddition green chem; azaarenium hexafluorophosphate preparation; azobenzene internal alkyne rhodium regioselective electrooxidative cycloaddition green chem; cinnolinium hexafluorophosphate preparation.

Electrochem. driven, Rh(III)-catalyzed regioselective annulations of arenes with alkynes was established. The strategy, combining the use of a rhodium catalyst with electricity, not only avoided the need for using a stoichiometric amount of external oxidant, but also ensured that the transformations proceeded under mild and green conditions, which enabled broad functional group compatibility with a variety of substrates, including drugs and pharmaceutical motifs. Moreover, the electrolysis reaction was made operationally simple by employing an undivided cell and proceeded efficiently in aqueous solution in air.

Green Chemistry published new progress about [4+2] Cycloaddition reaction (electrochem., regioselective). 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Application of C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Cheng, Kaiwu; Li, Yaojia; Gao, Zhiguo; Chen, Fanghui; You, Chaoqun; Sun, Baiwang published the artcile< Two-dimensional metal organic framework for effective gas absorption>, Safety of 2,4-Bipyridine, the main research area is soft phys exfoliation method preparation cadmium bipyridine MOF; crystal structure cadmium bipyridine MOF; gas adsorption thermal decomposition cadmium bipyridine MOF.

Herein, crystalline metal organic framework (MOF) nanosheets were fabricated through using a modified soft phys. exfoliation method from bulk crystals of a layered MOF, [Cd(4,4′-bpy)2(H2O)2](ClO4)2·(2,4′-bpy)2·H2O (MOF-1, 1), and fully characterized via transmission electron microscope (TEM), SEM, and at. force microscope (AFM). The delaminated MOF-1 nanosheets with porous structure showed good growth potential in selective gas adsorption.

Inorganic Chemistry Communications published new progress about Crystal structure. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Safety of 2,4-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Meneses-Sanchez, Manuel; Turo-Cortes, Ruben; Bartual-Murgui, Carlos; da Silva, Ivan; Munoz, M. Carmen; Real, Jose Antonio published the artcile< Enhanced Interplay between Host-Guest and Spin-Crossover Properties through the Introduction of an N Heteroatom in 2D Hofmann Clathrates>, Formula: C10H8N2, the main research area is transition metal Hofmann clathrate preparation host guest spin crossover; crystal structure iron bipyridine palladium platinum cyano Hofmann clathrate.

Controlled modulation of the spin-crossover (SCO) behavior through the sorption-desorption of invited mols. is an extensively exploited topic because of its potential applications in mol. sensing. For this purpose, understanding the mechanisms by which the spin-switching properties are altered by guest mols. is of paramount importance. Here, the authors show an exptl. approach revealing a direct probe of how the interplay between SCO and host-guest chem. is noticeably activated by chem. tuning the host structure. Thus, the axial ligand 4-phenylpyridine (4-PhPy) in the 2-dimensional Hofmann clathrates {Fe(4-PhPy)2[M(CN)4]} (PhPyM; M = Pt, Pd) is replaced by 2,4-bipyridine (2,4-Bipy), resulting in the isomorphous compounds {Fe(2,4-Bipy)2[M(CN)4]} (BipyM; M = Pt, Pd), which basically differ from the former in that they have a noncoordinated N heteroatom in the ancillary aromatic substituent, i.e., 2-pyridyl instead of Ph. Chem., magnetic, calorimetric, and structural characterizations demonstrate that this subtle chem. composition change provokes outstanding modifications not only in the capability to adsorb small guests as H2O or MeOH but also in the extent to which these guests affect the SCO characteristics.

Inorganic Chemistry published new progress about Adsorption. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Formula: C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Luo, Lihua; Tang, Juan; Sun, Rui; Li, Wenjing; Zheng, Xueli; Yuan, Maoling; Li, Ruixiang; Chen, Hua; Fu, Haiyan published the artcile< Direct C-H Sulfonylimination of Pyridinium Salts>, Recommanded Product: 2,4-Bipyridine, the main research area is sulfonyl iminopyridine preparation; pyridinium salt arylsulfonyl azide sulfonylimination.

A direct pyridinium C-H sulfonylimination has been developed for the synthesis of sulfonyl iminopyridine derivatives I (R = H, CN, Ph, thiophen-2-yl, etc.; R1 = H, OMe, Ph, thiophen-3-yl, etc.; R2 = H, cyclopropyl, Ph, 4-bromophenyl, etc.; R1R2 = -CH=CH-CH=CH-; R3 = Me, Et, i-Pr, etc.; R4 = Et, Ph, pyridin-3-yl, etc.) with high efficiency. This transformation features the direct and efficient formation of a C=N bond with a high functional group tolerance under metal-free conditions. The spectroscopic properties potentially enable these sulfonyl iminopyridine compounds I to be useful new emitting materials.

Organic Letters published new progress about Azides, sulfonyl azides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Recommanded Product: 2,4-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mendes, Rodrigo A.; de Freitas, Renato G.; Brown, Alex; de Souza, Gabriel L. C. published the artcile< Exploring ground and low-lying excited states for diquat, paraquat, and dipyridyl isomers>, SDS of cas: 581-47-5, the main research area is diquat paraquat dipyridyl isomer ground excited state.

In this work, we present a computational investigation on diquat, paraquat, and six dipyridyl isomers (2,2′-dipyridyl, 2,3′-dipyridyl, 2,4′-dipyridyl, 3,3′-dipyridyl, 3,4′-dipyridyl, and 4,4′-dipyridyl). Ground state properties such as equilibrium structures, relative energetics, transition states for cis-trans interconversion, and vibrational frequencies were determined for all the isomers at the MP2 level of theory with the cc-pVTZ basis set in the gas-phase; the MP2/cc-pVTZ and MP2/6-311+G(d,p) levels of theory in water were employed for diquat and paraquat. The trans structures are the most stable ones among the compounds that present such isomeric forms, with relative energies of 6.24 kcal/mol, 0.61 kcal/mol, and 0.12 kcal/mol lower than the cis counterparts in 2,2′-dipyridyl, 2,3′-dipyridyl, and 3,3′-dipyridyl, resp. The transition state lies at 7.65 kcal/mol above the trans form in the case of 2,2′-dipyridyl, 3.68 kcal/mol for 2,3′-dipyridyl, and 2.02 kcal/mol for 3,3′-dipyridyl, indicating that the interconversion is feasible in the cases of 2,3′-dipyridyl and 3,3′-dipyridyl and unlikely to occur in 2,2′-dipyridyl at room temperature Vertical excitation energies and resp. generalized oscillator strengths (GOS) were determined using time-dependent d. functional theory (CAM-B3LYP/cc-pVTZ and PBE0/cc-pVTZ) and EOM-CCSD/cc-pVTZ. In terms of excitation (and independent of computational method), all the isomers except 4,4′-dipyridyl, presented excited electronic states that are both bright (with GOS > 0.1) and energetically accessible at UV-vis wavelengths. Two bright states were found for diquat and paraquat in the UV region. Therefore, we expect that photoinduced degradation of both compounds can benefit from the utilization of techniques combining more than one source of radiation.

Journal of Photochemistry and Photobiology, A: Chemistry published new progress about Cis-trans isomerization. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, SDS of cas: 581-47-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Santos, Jose L. F.; de Souza, Gabriel L. C. published the artcile< Water hydrogen-bonding effects on the ground and low-lying excited states of dipyridyl isomers>, Computed Properties of 581-47-5, the main research area is dipyridyl water excited state hydrogen bond mol structure.

In this work, we examined the ground and low-lying excited states of six dipyridyl isomers (2,2′-dipyridyl, 2,3′-dipyridyl, 2,4′-dipyridyl, 3,3′-dipyridyl, 3,4′-dipyridyl, and 4,4′-dipyridyl), emphasizing the effects that solvation (water) mols. have on properties such as ground state equilibrium structures, relative energies in terms of conformations and transition states (regarding possible cis-trans interconversions), vertical excitation energies (VEs), generalized oscillator strengths (GOS), and excited state structures. D. functional theory (DFT) and its time-dependent formalism (TD-DFT) were used for determining all the ground state and excited state properties, resp., both being employed with the CAM-B3LYP exchange-correlation functional and the cc-pVTZ basis set. In addition, effects caused by interactions with the solvent environment were probed by means of using two different approaches: (i) the integral equation formalism polarizable continuum model (IEF-PCM) and (ii) a composite solvation model (CSM) through the incorporation of explicit water mols. in combination with the IEF-PCM. In general, a decrease in the relative energies regarding a given cis/trans counterpart is noticed when solvation is considered independently from the model used; all the dipyridyl cis/trans isomers became (practically) isoenergetical due to dipyridyl-H2O hydrogen-bonding interactions. Moreover, the interconversion barriers were also found to be lowered due to solvation effects. For instance, the energy barrier in terms of interconversion of the trans 2,2′-dipyridyl to the cis 2,2′-dipyridyl was determined as (approx.) 67% of the corresponding value obtained in the gas-phase. Although no major differences regarding the values of the VEs associated to a bright state are suggested from the comparison between the results obtained for a given isomer through the consideration of solvation and those corresponding determined in the gas-phase, the GOS are all increased when solvation is considered, suggesting an enhancement in the photoabsorption of all the isomers when in presence of solvent. In addition and in contrast to what was seen previously in the case of the gas-phase, 4,4′-dipyridyl presented a bright state among the five lowest-lying excited singlets (accessible at the UVC energy region), which is located at 5.49 eV (with GOS = 0.4465) at the TD-DFT/CAM-B3LYP/cc-pVTZ level of theory in water (IEF-PCM) and at 5.47 eV (with GOS = 0.5331) at the same level of theory with the CSM. Given that no significant change was noticed in the optimized structures for the excited states, it is possible to infer that all the compounds will decompose through photo decomposition (chem. reaction occurring in the excited state) rather than direct photolysis when in solution

Journal of Molecular Liquids published new progress about Conformation. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Computed Properties of 581-47-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Luo, Yuncong; Jiang, Shengjie; Xu, Xin published the artcile< Yttrium-Catalyzed ortho-Selective C-H Borylation of Pyridines with Pinacolborane>, Related Products of 581-47-5, the main research area is yttrium catalyzed carbon hydrogen borylation pyridine pinacolborane; crystal mol structure pyridyl boronate; pentamethylcyclopentadienyl yttrium pyridyl boronate intermediate preparation crystal mol structure; Borylation; C−H Activation; Pyridines; Regioselectivity; Yttrium.

This work reports a site-selective C-H borylation of pyridines at the ortho-position with pinacolborane enabled by an yttrocene catalyst. The reaction provides a new family of 2-pyridyl boronates with a broad substrate scope and high atom efficiency. The resultant boronates were able to undergo a variety of transformations, e.g., oxidation, Suzuki-Miyaura coupling, Chan-Lam amination and etherification. Catalytic intermediates, including ortho-C-H metalated and borylated complexes, were isolated from stoichiometric experiments and confirmed by single-crystal x-ray diffraction.

Angewandte Chemie, International Edition published new progress about Amination. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Related Products of 581-47-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sardaru, Monica-Cornelia; Craciun, Anda Mihaela; Al Matarneh, Cristina-Maria; Sandu, Isabela Andreea; Amarandi, Roxana Maria; Popovici, Lacramioara; Ciobanu, Catalina Ionica; Peptanariu, Dragos; Pinteala, Mariana; Mangalagiu, Ionel I.; Danac, Ramona published the artcile< Cytotoxic substituted indolizines as new colchicine site tubulin polymerisation inhibitors>, Product Details of C10H8N2, the main research area is indolizine derivative preparation colchicine tubulin polymerization inhibitor cancer; Indolizine; Phenstatin; anticancer; pyridyl; tubulin polymerisation inhibitors.

A potential microtubule destabilizing series of new indolizine derivatives was synthesized and tested for their anticancer activity against a panel of 60 human cancer cell lines. the compounds showed a broad spectrum of growth inhibitory activity against cancer cell lines representing leukemia, melanoma and cancer of lung, colon, central nervous system, ovary, kidney, breast, and prostate. Among them, compound was distinguishable by its excellent cytostatic activity, showing GI50 values in the range of 10-100 nM on 43 cell lines. The less potent compounds and in terms of GI50 values showed a high cytotoxic effect against tested colon cancer, CNS cancer, renal cancer and melanoma cell lines and only on few cell lines from other types of cancer. In vitro assaying revealed tubulin polymerization inhibition by all active compounds Mol. docking showed good complementarity of active compounds with the colchicine binding site of tubulin.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Antitumor agents. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Product Details of C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Araujo, Jose Weliton de Oliveira; Moura-Moreira, Mayra; Del Nero, Jordan published the artcile< Electronic transport via DTF-NEGF at bipyridine junctions with 1D organic electrodes>, Name: 2,4-Bipyridine, the main research area is bipyridine junction electronic transport electrode field effect transistor.

In this work, we study the properties of electronic transport in mol. junctions formed by bipyridine isomers as central region coupled at electrodes of carbyne wires. Through calculations of first principles, based on D. Functional Theory (DFT), combined with Non-Equilibrium Green′s Functions (NEGF), we obtain important properties such as elec. current, differential conductance, transmission, and eigenchannels. The results showed that the presence of nitrogen atoms in the mol.-electrode interface strongly affects the coupling of the junction, providing better electronic conduction; this is corroborated by the transmission eigenchannels. The transport properties analyzed revealed that in bipyridine bridges, devices with carbyne electrodes, presented better performance when compared to other works that used metallic electrodes (Au, Ag, and Cu) or graphene nanoribbons electrodes. The devices proposed showed a Field Effect Transistor (FET) behavior when are formed by sym. isomers, whereas for asym. systems we obtained characteristics of Mol. Diode (MD).

Physica E: Low-Dimensional Systems & Nanostructures (Amsterdam, Netherlands) published new progress about Bias potential. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Name: 2,4-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem