Category: 100-48-1

Application In Synthesis of 4-CyanopyridineIn 2021 ,《Can We Identify the Salt-Cocrystal Continuum State Using XPS?》 was published in Crystal Growth & Design. The article was written by Tothadi, Srinu; Shaikh, Tabrez Rafique; Gupta, Sharad; Dandela, Rambabu; Vinod, Chathakudath P.; Nangia, Ashwini K.. The article contains the following contents:

XPS is used to understand the nature of acid-base crystalline solids, to know whether the product is a salt (proton transfer, O-···H-N+) or cocrystal (neutral adduct, O-H···N). The present study was carried out to explore if intermediate states of proton transfer from COOH to Nitrogen (the proton resides in-between hydrogen bonded to O and N, O···H···N) can be differentiated from salt and cocrystal using N 1s XPS spectroscopy. The intermediate states of proton transfer arise when the pKa difference between the acid and the conjugate base is between -1 and 4, -1 <ΔpKa< 4, a situation common with COOH and pyridine functional groups present in drug mols. and pharmaceutically acceptable coformers. Complexes of pyridine N bases with aromatic COOH mols. in nine salts/cocrystals were cocrystd. and their N 1s core binding energy in XPS spectra were measured. The proton state was analyzed by single crystal X-ray diffraction. Three new complexes were crystallized and analyzed by XPS spectra (without knowing their X-ray structures), to assess the predictive ability of XPS spectra in differentiating salt-cocrystal intermediate states against the extremities. The XPS results were subsequently confirmed by single crystal X-ray data. 1:1 and 1:2 complexes of 3,5-dinitrobenzoic acid and isonicotinamide exist as salt and salt-cocrystal continuum, resp., as shown by the N 1s core binding energy. The proton states of the crystalline solids by XPS are in good agreement with the corresponding crystal structures. Other complexes, such as those of 3,5-dinitrobenzoic acid with 1,2-di(4-pyridyl)ethylene exhibit salt-cocrystal continuum, maleic acid with 1,2-di(4-pyridyl)ethylene and acridine are salts, 2-hydroxybenzoic acid and acridine is a salt, and complex of 3,5-dinitrobenzoic acid and 3-hydroxypyridine is a salt, while fumaric acid with 1,2-di(4-pyridyl)ethylene and acridine are cocrystals. Furthermore three new acid-base complexes of 3,5-dinitrobenzoic acid with phenazine, 4-hydroxypyridine and 4-cyanopyridine were studied initially by XPS and then confirmed by X-ray diffraction. In summary, since the N 1s binding energies cluster in a narrow range as cocrystal (398.9-399.6 eV) and salt (400.9-401.9 eV), it is possible to differentiate between neutral cocrystal and ionic salt, but the salt-cocrystal continuum values in XPS spectra are not clustered in a distinct intermediate range of energy to be of predictive value. In addition to this study using 4-Cyanopyridine, there are many other studies that have used 4-Cyanopyridine(cas: 100-48-1Application In Synthesis of 4-Cyanopyridine) was used in this study.

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Application In Synthesis of 4-Cyanopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Pisacic, Mateja; Kodrin, Ivan; Trninic, Amanda; Djakovic, Marijana published an article in Chemistry of Materials. The title of the article was 《Two-Dimensional Anisotropic Flexibility of Mechanically Responsive Crystalline Cadmium(II) Coordination Polymers》.Formula: C6H4N2 The author mentioned the following in the article:

Crystals of a family of six one-dimensional (1D) coordination polymers of cadmium(II) with cyanopyridines ([CdX2L2]n; X = Cl, Br, I; L = 3-cyanopyridine, 3-CNpy, 4-cyanopyridine, 4-CNpy) presented a variety of morphologies and mech. responses with dominant 2D-anisotropic flexibility, which has not been previously reported. All mech. adaptable crystals were 2D flexible and they displayed a variety of direction-dependent responses; in addition to 2D-isotropic flexibility observed for solely elastic materials, 2D-anisotropic flexibility was noticed for both elastic and elastic → plastic crystals. The consequences of fine and controlled structural variations on mech. behavior were addnl. explored via microfocus SCXRD and complementary theor. studies, revealing that the relative strength and direction of the hydrogen bonding interactions were the key parameters in delivering a specific mech. response. In the experiment, the researchers used many compounds, for example, 4-Cyanopyridine(cas: 100-48-1Formula: C6H4N2)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Formula: C6H4N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rathnayake, Manjula D.; Weaver, Jimmie D. III published their research in Organic Letters in 2021. The article was titled 《Coupling Photocatalysis and Substitution Chemistry to Expand and Normalize Redox-Active Halides》.Product Details of 100-48-1 The article contains the following contents:

Photocatalysis can generate radicals in a controlled fashion and has become an important synthetic strategy. However, limitations due to the reducibility of alkyl halides prevent their broader implementation. Herein authors explore the use of nucleophiles that can substitute the halide and serve as an electron capture motif that normalize the variable redox potentials across substrates. When used with photocatalysis, bench-stable, com. available collidinium salts prove to be excellent radical precursors with a broad scope. The results came from multiple reactions, including the reaction of 4-Cyanopyridine(cas: 100-48-1Product Details of 100-48-1)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Product Details of 100-48-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Iron-cobalt-catalyzed heterotrimerization of alkynes and nitriles to polyfunctionalized pyridines》 was written by Xie, Yufang; Wu, Chengjuan; Jia, Changhao; Tung, Chen-Ho; Wang, Wenguang. Related Products of 100-48-1 And the article was included in Organic Chemistry Frontiers in 2020. The article conveys some information:

Based on the reactivity of half-sandwich complexes [Cp*Fe(NCMe)3]PF6 and Cp*Co(1,2-Ph2PC6H4NH), (Cp* = Me5C5-), the iron(II)-cobalt(II) co-catalysis of the cycloaddition of alkynes to nitriles under mild reaction conditions was studied. This method enabled the synthesis of polysubstituted pyridines in a single step and especially valuable for the preparation of 2,3,4,5,6-pentafunctionalized pyridines. In the experimental materials used by the author, we found 4-Cyanopyridine(cas: 100-48-1Related Products of 100-48-1)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Related Products of 100-48-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Oxalato bridged coordination polymer of manganese(III) involving unconventional O···π-hole(nitrile) and antiparallel nitrile···nitrile contacts: antiproliferative evaluation and theoretical studies》 was written by Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Gogoi, Anshuman; Verma, Akalesh K.; Dutta, Diksha; Sarma, Bipul; Bhattacharyya, Manjit K.. Product Details of 100-48-1 And the article was included in New Journal of Chemistry in 2020. The article conveys some information:

A new oxalato bridged polymeric Mn(III) coordination compound, {[Mn2(η2-C2O4)(H2O)2Cl4]2(4-CNpy)}n (1) (C2O4 = oxalate, 4-CNpy = 4-cyanopyridine), was synthesized and characterized using elemental anal., and spectroscopic (IR, electronic, XPS) and single crystal X-ray diffraction techniques. Electronic and XPS analyses of the compound justify the presence of a Mn(III) center that is charge compensated by the two chlorido ligands and the oxygen atom of the bridged oxalate. 4-CNpy mols. in the lattice form unconventional H-bonded supramol. dimers in the solid state assisted by antiparallel CN···CN dipole···dipole interactions, which was confirmed using QTAIM and NCI plot anal. and supported by MEP surface anal. Remarkably, this dimer concurrently establishes a weak anion-π interaction with the coordinated chlorido ligand. Unexpectedly, QTAIM anal. reveals the existence of an interesting O···π-hole (nitrile) contact involving the coordinated water mol. and the nitrile moiety that also contributes to the stabilization of the dimer in the crystal structure. To the best of our knowledge, the existence of such π-hole interaction involving nitrile derivatives was not reported before. Compound 1 was further screened for anticancer activity in the malignant Dalton’s lymphoma (DL) cell line and the results were confirmed by mol. docking and pharmacophore features. The authors’ findings indicated that the cytotoxicity of compound 1 is initially increased in a dose dependent manner (0.01-1μM) and then decreased (5-10μM), which is also affected by the reactive oxygen species (ROS) in the cells. Very low cytotoxicity (5-14%) was observed in the case of healthy cells (PBMC) for similar exptl. conditions. In the experiment, the researchers used 4-Cyanopyridine(cas: 100-48-1Product Details of 100-48-1)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Product Details of 100-48-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Charge-assisted hydrogen bond and nitrile···nitrile interaction directed supramolecular associations in Cu(II) and Mn(II) coordination complexes: anticancer, hematotoxicity and theoretical studies》 was published in New Journal of Chemistry in 2020. These research results belong to Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.. COA of Formula: C6H4N2 The article mentions the following:

Two new coordination complexes of Cu(II) and Mn(II), viz., [Cu(bpy)(H2O)4]SO4·2H2O (1) and [Mn(4-CNpy)2(H2O)3SO4]·H2O (2) (bpy = 2,2′-bipyridine, 4-CNpy = 4-cyanopyridine), were synthesized and characterized by using single crystal x-ray diffraction, elemental anal., FTIR spectroscopy, electronic spectroscopic techniques and TGA. The crystal structure of 1 uncovers the formation of sulfate-H2O assemblies involving lattice and coordinated H2O mols., while 2 reveals unconventional weak T-shaped CN···CN contacts in the layered architecture. The authors analyzed the unconventional interesting interactions using DFT calculations, mol. electrostatic potential (MEP), the NCI plot and QTAIM computational tools. The interaction energies of the two H-bonded dimers in 1 are very large because of the coulombic attraction between the dicationic H-bonded donor and the dianionic acceptor. It is interesting to observe that despite the energy of the H-bonds being very small compared to the total dimerization energy, the final geometry of the assembly in 1 is due to the charge assisted directional H-bonds instead of the nondirectional ion-pair interactions. The DFT study reveals that the T-shaped CN···CN interaction in 2 is very weak, in good agreement with the small MEP energy at the nitrile C atom. Anticancer studies of the compounds were carried out using Dalton’s lymphoma cell line using MTT and apoptosis assay. The results of compound 1 and 2 mediated cell cytotoxicity on the DL cancer cell line showed a significant concentration-dependent reduction in cell viability, while negligible cytotoxicity was observed in normal (PBMC) cells. The docking simulation results also confirm the interaction of the complexes with the active sites of amino acids of the target proteins. Also, pharmacophore models (2-dimensional and 3-D) for the compounds were mapped to the H-bond donor, pos. ionizable area and hydrophobic features that are important for establishing biol. activities. No hematotoxicity was recorded for the compounds after treatment in normal mice. In addition to this study using 4-Cyanopyridine, there are many other studies that have used 4-Cyanopyridine(cas: 100-48-1COA of Formula: C6H4N2) was used in this study.

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. COA of Formula: C6H4N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Copper-catalyzed versatile C(sp3)-H arylation: synthetic scope and regioselectivity investigations》 were Zhou, Jiadi; Zou, Yawen; Zhou, Peng; Chen, Zhiwei; Li, Jianjun. And the article was published in Organic Chemistry Frontiers in 2019. Synthetic Route of C6H4N2 The author mentioned the following in the article:

The copper-catalyzed versatile C(sp2)-C(sp3) bond formation with N-heteroaromatics and hydrogen donors was developed. Various alkanes and ethers reacted with quinolines, isoquinolins, pyridines, benzooxazole and benzothiazole to gave the corresponding C(sp2)-H alkylation products via cross-dehydrogenative coupling. The high regioselective C(sp2)-halogen alkylation of (hetero)aryl chlorides and (hetero)aryl bromides with ethers via elimination of the halogen radical. The reaction mechanism was investigated with control experiments The experimental process involved the reaction of 4-Cyanopyridine(cas: 100-48-1Synthetic Route of C6H4N2)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridines form stable salts with strong acids. Pyridine itself is often used to neutralize acid formed in a reaction and as a basic solvent. Synthetic Route of C6H4N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Name: 4-CyanopyridineIn 2021 ,《Metal-Free Hydropyridylation of Thioester-Activated Alkenes via Electroreductive Radical Coupling》 was published in Journal of Organic Chemistry. The article was written by Xu, Hehuan; Liu, Jiayu; Nie, Feiyun; Zhao, Xiaowei; Jiang, Zhiyong. The article contains the following contents:

An electrochem. hydropyridylation of thioester-activated alkenes R1R2C:CHC(O)SEt (R1 = Ph, 2-MeOC6H4, 3-BrC6H4, 1-naphthyl, N-Boc-indol-3-yl, etc.; R2 = H, Me, n-Bu) with 4-cyanopyridines has been developed. The reactions proceed via tandem electroreduction of both substrates on the cathode surface, protonation and radical cross-coupling processes, resulting in a variety of valuable pyridine variants, which contain a tertiary and even a quaternary carbon at the α-position of pyridines in high yields. These reactions require no catalyst or high temperature representing a highly sustainable synthetic method. In the experimental materials used by the author, we found 4-Cyanopyridine(cas: 100-48-1Name: 4-Cyanopyridine)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridines, quinolines, and isoquinolines have found a function in almost all aspects of organic chemistry. Pyridine has found use as a solvent, base, ligand, functional group, and molecular scaffold. As structural elements, these moieties are potent electron-deficient groups, metal-directing functionalities, fluorophores, and medicinally important pharmacophores. Name: 4-Cyanopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Category: pyridine-derivativesIn 2020 ,《Mild and selective hydrogenation of nitriles into primary amines over a supported Ni catalyst》 was published in New Journal of Chemistry. The article was written by Wang, Jianjian; Tang, Qingjie; Jin, Shiwei; Wang, Yanxin; Yuan, Ziliang; Chi, Quan; Zhang, Zehui. The article contains the following contents:

The development of new heterogeneous non-noble catalytic systems for the selective hydrogenation of nitriles into primary amines is a challenging task. In this study, a mesoporous Al2O3-supported Ni catalyst (denoted as Ni/Al2O3-600, where 600 represents the reduction temperature) demonstrated a high catalytic activity for the hydrogenation of nitriles under mild conditions (60-80°C and 2.5 bar H2) with ammonia as the additive. This catalytic system has a wide substrate range; and the Ni/Al2O3 catalyst demonstrated a good tolerance to other functional groups, which was possibly due to its high catalytic activity under mild conditions. A plausible reaction pathway was proposed for the hydrogenation of nitriles into primary amines, and it was found that ammonia played a great role in the enhancement of the selectivity of primary amines by the inhibition of the side reaction to generate secondary amines. In addition, the Ni/Al2O3-600 catalyst could be reused five times without activity loss through convenient magnetic recovery. In the experimental materials used by the author, we found 4-Cyanopyridine(cas: 100-48-1Category: pyridine-derivatives)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Application In Synthesis of 4-CyanopyridineIn 2020 ,《P-cymene complexes of ruthenium(II) as antitumor agents》 was published in Molecules. The article was written by Pujante-Galian, Maria Angeles; Perez, Sergio A.; Montalban, Mercedes G.; Carissimi, Guzman; Fuster, Marta G.; Villora, Gloria; Garcia, Gabriel. The article contains the following contents:

In this work, the cytotoxic behavior of six ruthenium(II) complexes of stoichiometry [(η6-p-cymene)RuCl2L] (I-VI), L = 4-cyanopyridine (I), 2-aminophenol (II), 4-aminophenol (III), pyridazine (IV), and [(η6-p-cymene)RuClL2]PF6; L = cyanopyridine (V), L = 2-aminophenol(VI) towards three cell lines was studied. Two of them, HeLa and MCF-7, are human carcinogenic cells from cervical carcinoma and human breast cancer, resp. A comparison with healthy cells was carried out with BGM cells which are monkey epithelial cells of renal origin. The behavior of complex II exhibits selectivity towards healthy cells, which is a promising feature for use in cancer treatment since it might reduce the side effects of most current therapies. The experimental part of the paper was very detailed, including the reaction process of 4-Cyanopyridine(cas: 100-48-1Application In Synthesis of 4-Cyanopyridine)

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Application In Synthesis of 4-Cyanopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem