Tag: 100-200

Diversities in the chelation of aroylhydrazones towards cobalt(II) salts: Synthesis, spectral characterization, crystal structure and some theoretical studies was written by Mangalam, Neema Ani;Kurup, M. R. Prathapachandra;Suresh, Eringathodi;Kaya, Savas;Serdaroglu, Goncagul. And the article was included in Journal of Molecular Structure in 2021.COA of Formula: C12H9NO This article mentions the following:

Five Co complexes synthesized from two aroylhydrazones were characterized by elemental analyses, TGA, molar conductivity, magnetic susceptibility measurements, IR and electronic spectra. Single crystal x-ray structure of one of the complex is also reported and it got crystallized in triclinic space group P1̅ and the crystal structure shows a distorted octahedral geometry around the metal center. Spectral data reveal that both the aroylhydrazones are tridentate and coordinate through the azomethine N, hydrazonic O, and pyridyl N. Magnetic susceptibility measurements confirm the paramagnetic nature of the Co(II) complexes and one of the complex is diamagnetic in nature. Addnl., HF/6-311G(d,p)/LANL2DZ calculations were performed to predict the possible intramol. interactions contributing to the lowering of the stabilization energy. Accordingly, π→ π^* transitions are responsible for the stabilization energy for the ligands and their Co complexes. To describe and discuss the chem. reactivity and stability of synthesized complexes, quantum chem. parameters like frontier orbital energies, hardness, softness, energy gap, electronegativity, chem. potential, electrophilicity, polarizability and dipole moment were calculated Also, the main electronic structure principles such as maximum hardness, min. polarizability, and min. electrophilicity principles were considered to evaluate the stability of the complexes. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1COA of Formula: C12H9NO).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.COA of Formula: C12H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of some 3-substituted [1,8]Naphthyrido[3,2-c][1,8]naphthyridines. A new heterocyclic ring system was written by Ferrarini, Pier Luigi;Biagi, Giuliana;Livi, Oreste;Primofiore, Giampaolo;Carpene, Marino. And the article was included in Journal of Heterocyclic Chemistry in 1981.Formula: C7H9N3O This article mentions the following:

The title compounds (I; R = Me, Br, Cl, EtO, HS) were prepared by condensation of naphthyridinones (II) with 2-aminonicotinaldehyde. I were transformed into the fully aromatic compounds by refluxing with nitrobenzene. In the experiment, the researchers used many compounds, for example, N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3Formula: C7H9N3O).

N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Formula: C7H9N3O

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Manganese-Promoted Regioselective Direct C3-Phosphinoylation of 2-Pyridones was written by Kittikool, Tanakorn;Phakdeeyothin, Kunita;Chantarojsiri, Teera;Yotphan, Sirilata. And the article was included in European Journal of Organic Chemistry in 2021.COA of Formula: C11H9NO This article mentions the following:

A highly efficient and regioselective manganese-induced radical oxidative direct C-P bond formation between 2-pyridones and secondary phosphine oxides was developed. The C3-selective phosphinoylation was conveniently achieved through a combination of substoichiometric manganese and persulfate oxidant under mild conditions. Various 3-phosphinoylated pyridone products can be obtained in moderate to high yields. Preliminary mechanistic studies suggest that the reaction is likely to involve a radical pathway induced by catalytically active Mn³⁺ species. In the experiment, the researchers used many compounds, for example, 5-Phenylpyridin-2-ol (cas: 76053-45-7COA of Formula: C11H9NO).

5-Phenylpyridin-2-ol (cas: 76053-45-7) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.COA of Formula: C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Addition of novel benzylmagnesium “ate” complexes of BnR₂MgLi type to 2-(thio)pyridones and related compounds was written by Sosnicki, Jacek G.;Idzik, Tomasz;Borzyszkowska, Aleksandra;Wroblewski, Emil;Maciejewska, Gabriela;Struk, Lukasz. And the article was included in Tetrahedron in 2017.SDS of cas: 76053-45-7 This article mentions the following:

Novel benzylation reagents BnR2MgLi were obtained by mixing benzylmagnesium chloride (BnMgCl) and appropriate organolithium compounds (RLi). As BnR₂MgLi complexes are more nucleophilic than the parent Grignard compound they enabled regioselective C6-addition to electrophilic N-substituted 2-(thio)-pyridones and C4-addition to poorly reactive NH 2-(thio)pyridones in high and good yields, resp. Thus, the application of these new reagents in efficient synthesis of 6-benzyl-3,6-dihydro- and 4-benzyl-3,4-dihydropyridin-2(1H)-ones is described. The prospect of wider application of BnR₂MgLi in 1,4-addition to other electrophiles, comprising six-membered α,β-unsaturated systems is also presented. In the experiment, the researchers used many compounds, for example, 5-Phenylpyridin-2-ol (cas: 76053-45-7SDS of cas: 76053-45-7).

5-Phenylpyridin-2-ol (cas: 76053-45-7) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.SDS of cas: 76053-45-7

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On the metalation of 2-isopropylpyridine was written by Pasquinet, Eric;Rocca, Patrick;Marsais, Francis;Godard, Alain;Queguiner, Guy. And the article was included in Tetrahedron in 1998.Electric Literature of C8H11N This article mentions the following:

2-Isopropylpyridine was successfully metalated and functionalized by using K diisopropylamide (KDA). Subsequent functionalization was achieved with a wide range of electrophiles and good to excellent yields were obtained. The action of other K or Na bases also was studied. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Electric Literature of C8H11N).

2-Isopropylpyridine (cas: 644-98-4) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Electric Literature of C8H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mixtures of Pyridine and Nicotine with Pyridinium-Based Ionic Liquids was written by Pereiro, A. B.;Rodriguez, A.;Blesic, M.;Shimizu, K.;Canongia Lopes, J. N.;Rebelo, L. P. N.. And the article was included in Journal of Chemical & Engineering Data in 2011.SDS of cas: 125652-55-3 This article mentions the following:

The melting temperatures of 1-alkyl-3-methylpyridinium chloride ionic liquids [C_nmpy]Cl (4 ≤ even n ≤ 18) were determined by a dynamic method and confirmed by differential scanning calorimetry. The latter technique was also used to measure the corresponding enthalpies of fusion. The temperatures marking the onset of decomposition of the eight ionic liquids were determined by thermogravimetry. The solid-liquid and liquid-liquid phase equilibrium of binary mixtures of pyridine or nicotine with four ionic liquids of the 1-alkyl-3-methylpyridinium chloride family ([C_nmpy]Cl with n = 4, 6, 10, 16) were investigated. The T-x phase diagrams were measured at atm. pressure using turbidimetry in the (280 to 378) K temperature range. The diagrams show that pyridine is miscible in all proportions with the four studied ionic liquids while nicotine is only partially miscible with [C₄mpy]Cl and [C₆mpy]Cl. Data were interpreted using mol. dynamics simulations. The study illustrates, once again, the unique structural and solvent properties of ionic liquids In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3SDS of cas: 125652-55-3).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.SDS of cas: 125652-55-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On the calculation of ¹⁵N chemical shifts using linear regression formulae. A performance comparison of different methods was written by Franca, Carlos A.;Pis Diez, Reinaldo;Jubert, Alicia H.. And the article was included in Journal of Molecular Structure: THEOCHEM in 2008.Computed Properties of C8H11N This article mentions the following:

The calculation of NMR chem. shifts using linear regression formulas is revisited ¹⁵N chem. shifts are considered as a test case. Mean unsigned errors of 4.8, 5.4 and 7.6 ppm are found for the B3LYP/6-31G(d)//B3LYP/6-31G(d), B3LYP/6-311+G(2d,p)//B3LYP/6-31G(d) and HF/6-31G(d)//B3LYP/6-31G(d) levels of theory, resp., which are much more accurate than chem. shifts calculated by subtracting theor. magnetic isotropic shieldings from the reference nitromethane. Also, the economical HF/6-31G(d)//B3LYP/6-31G(d) method is ∼15 times faster than the rather expensive B3LYP/6-311+G(2d,p)//B3LYP/6-31G(d) level of theory but only 2.5 times faster than B3LYP/6-31G(d)//B3LYP/6-31G(d). The authors’ results indicate that the B3LYP/6-31G(d)//B3LYP/6-31G(d) level of theory constitutes an adequate compromise between accuracy and computational cost for ¹⁵N chem. shifts calculation using a linear regression formula. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Computed Properties of C8H11N).

2-Isopropylpyridine (cas: 644-98-4) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Computed Properties of C8H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Preliminary evaluation of some quaternary ammonium salts as phytoxic agents was written by Schlesinger, Arthur H.;Mowry, David T.. And the article was included in Journal of Agricultural and Food Chemistry in 1959.Safety of 1-(Cyanomethyl)pyridin-1-ium chloride This article mentions the following:

Some 60 quaternary ammonium salts RR₁R₂R₃NX were prepared by standard chem. methods. Many of these salts exhibited considerable phytotoxicity in seed-germination tests. In a series of 1-substituted pyridinium bromides, maximum phytotoxicity was noticed when R was C₁₂ to C₁₄. Other active types of similar compounds are also mentioned. Lack of selectivity towards mono- or dicotyledeuous species is evident from these examples. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3Safety of 1-(Cyanomethyl)pyridin-1-ium chloride).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Safety of 1-(Cyanomethyl)pyridin-1-ium chloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Interactions of ionic liquids with polysaccharides – 7: Thermal stability of cellulose in ionic liquids and N-methylmorpholine-N-oxide was written by Dorn, Susann;Wendler, Frank;Meister, Frank;Heinze, Thomas. And the article was included in Macromolecular Materials and Engineering in 2008.Name: 1-Butyl-3-methylpyridinium Chloride This article mentions the following:

The thermal behavior of cellulose dissolved in ionic liquids (IL) was studied and compared N-methylmorpholine-N-oxide (NMMO) solutions The cellulose solutions were characterized by reaction calorimetry and UV-visible spectroscopy. Generation of chromophoric substances in cellulose/IL solutions is minimized heating at >100° for longer time periods. Dynamic calorimetric investigations revealed thermal activity at >180° with 1-ethyl-3-methylimidazolium acetate and at >200° with 1-butyl-3-methylimidazolium chloride and five other IL. Moreover, even in the case of modified cellulose/IL solutions, e.g., activated charcoal, only a slight decline of onset temperatures was registered compared to modified cellulose/NMMO solutions In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3Name: 1-Butyl-3-methylpyridinium Chloride).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Name: 1-Butyl-3-methylpyridinium Chloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Direct dissolution and NMR analysis of the plant cell walls via perdeuterated pyridinium-based ionic liquid was written by Jiang, Nan;Pu, Yunqiao;Samuel, Reichel;Ragauskas, Arthur J.. And the article was included in Preprints of Symposia – American Chemical Society, Division of Fuel Chemistry in 2010.Formula: C7H7ClN2 This article mentions the following:

This article presents the perdeuterated pyridinium ionic liquid system for direct dissolution and NMR anal. of the Wiley milled and ball-milled plant cell walls to reveal the detailed structure of the plant cell walls. The unique properties and easy preparation of pyridinium-based ionic liquid [Hpyr]Cl-d₆ offer significant benefits over imidazolium-based ionic liquids for NMR characterization of the non-ball-milled plant cell walls. Further applications of this novel ionic liquid-based solvent system include the determination of lignin content, H:S:G ratios and inter-unit lignin bonding arrangements, without the need for lengthy lignin isolation procedures. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3Formula: C7H7ClN2).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.Formula: C7H7ClN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem