Day: February 3, 2023

Scalable synthesis of ionic liquids: comparison of performances of microstructured and stirred batch reactors was written by Iken, Hicham;Guillen, Frederic;Chaumat, Helene;Mazieres, Marie-Rose;Plaquevent, Jean-Christophe;Tzedakis, Theodore. And the article was included in Tetrahedron Letters in 2012.Computed Properties of C17H30BrN This article mentions the following:

A range of alkylpyridinium bromide ionic liquids have been synthesized in a stirred reactor at multigram scale and characterized by phys. methods (viscosity, conductivity, m.p., electrochem. window, and water content). One ionic liquid, octylpyridinium bromide, was chosen to be synthesized in both macro and reduced scale reactors, in order to compare its performance and to afford evidence of the advantages of a cross channel micro reactor (channel width = 1 mm) compared to a stirred reactor. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Computed Properties of C17H30BrN).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) 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). Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Computed Properties of C17H30BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mn(III) active site in hydrotalcite efficiently catalyzes the oxidation of alkylarenes with molecular oxygen was written by Wang, Anwei;Zhou, WeiYou;Sun, Zhonghua;Zhang, Zhong;Zhang, Zhihui;He, MingYang;Chen, Qun. And the article was included in Molecular Catalysis in 2021.Reference of 91-02-1 This article mentions the following:

Developing efficient heterogeneous catalytic systems based on easily available materials and mol. oxygen for the selective oxidation of alkylarenes is highly desirable. In the present research, NiMn hydrotalcite (Ni₂Mn-LDH) was found as an efficient catalyst in the oxidation of alkylarenes using mol. oxygen as the sole oxidant without any additive. Impressive catalytic performance, excellent stability and recyclability, broad applicable scope and practical potential for the catalytic system were observed Mn³⁺ species is proposed to be the efficient active site, and Ni²⁺ played an important role in stabilizing the Mn³⁺ species in the hydrotalcite structure. The kinetic study showed that the aerobic oxidation of diphenylmethane is a first-order reaction over Ni₂Mn-LDH with the activation energy (E_a) and pre-exponential factor (A₀) being 85.7 kJ mol^-1 and 1.8 x 10⁹ min^-1, resp. The Gibbs free energy (ΔG^≠) is -10.4 kJ mol^-1 K^-1 for the oxidation based on Eyring-Polanyi equation, indicating the reaction is exergonic. The mechanism study indicated that the reaction proceeded through both radical and carbocation intermediates. The two species were then trapped by mol. oxygen and H₂O or hydroxyl species, resp., to yield the corresponding products. The present research might provide information for constructing highly efficient and stable active site for the catalytic aerobic oxidation based on available and economic material. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Reference of 91-02-1).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. 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.Reference of 91-02-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Arylation of enelactams using TIPSOTf: reaction scope and mechanistic insight was written by Idzik, Tomasz J.;Myk, Zofia M.;Struk, Lukasz;Peruzynska, Magdalena;Maciejewska, Gabriela;Drozdzik, Marek;Sosnicki, Jacek G.. And the article was included in Organic Chemistry Frontiers in 2021.Computed Properties of C11H9NO This article mentions the following:

A novel method for inter- and intramol. arylation of enelactams (3,4-dihydropyridin-2-ones), up to 99% yield, triggered by triisopropylsilyltrifluoromethanesulfonate (TIPSOTf) was proposed. It offered high synthetic usefulness, especially for synthesis of polycyclic systems, e.g., I obtained from conformationally rigid δ-enelactams, for which use of conventional method, involving cyclization by treatment with TfOH, failed. Multinuclear (¹H, ¹³C, ¹⁹F and ²⁹Si) NMR spectroscopy applied for reaction monitoring as well as DOSY NMR experiment permitted identification of intermediates and proposition of reaction mechanism. In process of checking scope of method application, condensed and bridged polycyclic piperidin-2-ones, including a derivative of alangiifoliumine A, were obtained. The inhibition of malignant melanoma A375 cell proliferation by some benzoquinolizidine derivatives (up to IC₅₀ = 5.3 ± 0.4μM) was evidenced. In the experiment, the researchers used many compounds, for example, 5-Phenylpyridin-2-ol (cas: 76053-45-7Computed Properties of C11H9NO).

5-Phenylpyridin-2-ol (cas: 76053-45-7) 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. 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.Computed Properties of C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

GC-MS analysis of the composition of petroleum ether extract from stem of Panax japonicus was written by Lai, Pu-hui;Tian, Guang-hui;Gao, Yan-ni;Cai, Chun-yu;Liu, Cun-fang. And the article was included in Anhui Nongye Kexue in 2008.SDS of cas: 28020-37-3 This article mentions the following:

The study was to provide the basis for the comprehensive development and utilization of the stem of Panax japonicus in Qinba Mountains. With petroleum as solvent, the petroleum extraction from the powder of wild P. japonicus stem in Qinba Mountains extracted by ultrasonic, and its composition was separated and identified by GC-MS anal. 49 Compounds were separated and identified in the petroleum extraction of the stem of P.japonicus, and the main compounds were terpenes, fatty acids, enols, olefins and phenolic compounds, which shared 95.15% of the total liposol. constituents. The compound with the highest relatively content was spathulenol (22.07%), the second was palmitic acid with the content of 11.18%, and the third was selinene with the content of 9.20%. Their construction all contained unsaturated double bonds, which indicated that the petroleum extraction from the wild P. japonicus stem could had some physiol. activity. The petroleum extraction from the P. japonicus stem had good value on application and exploitation. In the experiment, the researchers used many compounds, for example, 3-Amino-2,6-dimethoxypyridine (cas: 28020-37-3SDS of cas: 28020-37-3).

3-Amino-2,6-dimethoxypyridine (cas: 28020-37-3) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. 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.SDS of cas: 28020-37-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Azaindenoisoquinolines as Topoisomerase I Inhibitors and Potential Anticancer Agents: A Systematic Study of Structure-Activity Relationships was written by Kiselev, Evgeny;Agama, Keli;Pommier, Yves;Cushman, Mark. And the article was included in Journal of Medicinal Chemistry in 2012.Computed Properties of C7H5ClN2 This article mentions the following:

A comprehensive study of a series of azaindenoisoquinoline topoisomerase I (Top1) inhibitors is reported. The synthetic pathways have been developed to prepare 7-, 8-, 9-, and 10-azaindenoisoquinolines. The present study shows that 7-azaindenoisoquinolines possess the greatest Top1 inhibitory activity and cytotoxicity. Addnl., the introduction of a methoxy group into the D-ring of 7-azaindenoisoquinolines improved their biol. activities, leading to new lead mols. for further development. A series of QM calculations were performed on the model “sandwich” complexes of azaindenoisoquinolines with flanking DNA base pairs from the Drug-Top1-DNA ternary complex. The results of these calculations demonstrate how changes in two forces contributing to the π-π stacking (dispersion and charge-transfer interactions) affect the binding of the drug to the Top1-DNA cleavage complex and thus modulate the drug’s Top1 inhibitory activity. In the experiment, the researchers used many compounds, for example, 2-Chloro-4-methylpyridine-3-carbonitrile (cas: 65169-38-2Computed Properties of C7H5ClN2).

2-Chloro-4-methylpyridine-3-carbonitrile (cas: 65169-38-2) 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). 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 C7H5ClN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chemoinformatic design of amphiphilic molecules for methane hydrate inhibition was written by Di Profio, Pietro;Canale, Valentino;Marvulli, Francesca;Zappacosta, Romina;Fontana, Antonella;Siani, Gabriella;Germani, Raimondo. And the article was included in Journal of Chemometrics in 2018.Safety of 1-Dodecylpyridin-1-ium bromide This article mentions the following:

Cationic surfactants and other low mol. weight compounds are known to inhibit nucleation and agglomeration of methane hydrates. In particular, tetralkylammonium salts are kinetic hydrate inhibitors; ie, they reduce the rate of hydrate formation. This work relates to the in-silico determination of structural features of mols. modulating methane hydrate formation, as found exptl., and the prediction of novel structures to be tested as candidate inhibitors. Exptl. data for each mol. are the amount of absorbed methane. By inserting these numerical values into a chemoinformatic model, it was possible to find a mutual correlation between structural features and inhibition properties. A maximum amount of information is extracted from the structural features and exptl. variables, and a model is generated to explain the relationship therebetween. Chemometric anal. was performed by using the software package Volsurf+ with the aim of finding a primary correlation between surfactant structures and their properties. Exptl. parameters (pressure, temperature, and concentration) were further processed through an optimization procedure. A careful study of the chemometric anal. responses and the numerical descriptors of tested surfactants allowed to define the features of a good inhibitor, as far as the amount of absorbed gas is concerned. An external prediction is finally made to project external compounds, whose structures and critical micellar concentration are known, in a statistical model, to predict the inhibition properties of a particular mol. in advance of synthesis and testing. This method allowed to find novel amphiphilic mols. for testing as candidate inhibitors in flow-assurance. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Safety of 1-Dodecylpyridin-1-ium bromide).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) 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. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Safety of 1-Dodecylpyridin-1-ium bromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Impact of ionic liquids on the processing and photo-actuation behavior of SBR composites containing graphene nanoplatelets was written by Gaca, Magdalena;Ilcikova, Marketa;Mrlik, Miroslav;Cvek, Martin;Vaulot, Cyril;Urbanek, Pavel;Pietrasik, Robert;Krupa, Igor;Pietrasik, Joanna. And the article was included in Sensors and Actuators, B: Chemical in 2021.Safety of 1-Butyl-4-methylpyridin-1-ium bromide This article mentions the following:

The effects of butylpyridinium bromide-based ionic liquids (ILs) on the vulcanization kinetics, mech. properties and photo-actuation ability of styrene-butadiene rubber (SBR) composites filled with graphene nanoplatelets (GnPs) were investigated. Two different ILs, 1-butylpyridinium bromide (BBP) and 4-methyl-1-butylpyridinium bromide (BMBP), were introduced into rubber compounds The methodol. of IL incorporation into the rubber compounds was studied as well. The ILs were added either directly as a single component or after immobilization onto the GnPs surface. High values of the modulus and tensile strength, which are important mech. properties, were observed for the composites filled with immobilized BMBP. Freely dispersed BBP resulted in composites with the fastest scorch time, highest thermal and elec. conductivity, and best photo-actuation response of 0.230 mm. In the experiment, the researchers used many compounds, for example, 1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6Safety of 1-Butyl-4-methylpyridin-1-ium bromide).

1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6) 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, 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. Safety of 1-Butyl-4-methylpyridin-1-ium bromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Preparation of lipase loaded chitosan nanoparticles and its estimation using different additives was written by Devnani, H.;Dani, U.;Bahadur, A.. And the article was included in Research & Reviews: A Journal of Life Sciences in 2016.Application of 104-73-4 This article mentions the following:

Chitosan nanoparticles were prepared by ionic gelation technique and simultaneously entrapment of lipase was carried out in it. These were then subjected to additives such as surfactants, pluronics and ionic liquids Activity of lipase was assayed in free as well as immobilized conditions. It was then compared to immobilized enzyme bound to these polymers. The results have been graphically displayed. Among surfactants, tween 80 and triton X-100 were used with the latter showing better activity. Pluronic P127 showed maximum activity of the enzyme and ionic liquid hexadecyl pyridinium bromide displayed best results. Stability of chitosan nanoparticles was observed on combining these with the additives. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Application of 104-73-4).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) 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. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Application of 104-73-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Microwave-assisted C-H oxidation of methylpyridylheteroarenes via a Kornblum-Type reaction was written by Tedder, Mariah L.;Dzeagu, Fortune O.;Mason, Marcos M.;Dixon, David A.;Carrick, Jesse D.. And the article was included in Tetrahedron in 2022.Recommanded Product: Phenyl(pyridin-2-yl)methanone This article mentions the following:

Expansion of the operational capacity of soft-Lewis basic complexant scaffolds towards improved phys. properties for the chemoselective sequestration of minor actinides from the electronically similar lanthanides necessitates rapid access to synthons for efficient complexant construction for downstream employment in separations assays. Pursuant to the aforementioned, authors were interested in exploring the potential utility of advanced, unsym. heteroarene constructs for separations which required access to pyridyl carbaldehydes. Limited com. availability of synthetic precursors inspired effort to define a chemoselective, microwave assisted, Kornblum-type reaction via C-H functionalization. This efficient reaction sequence uses I₂ as a mild oxidant without acidic or basic additives, in concert with DMSO as the solvent and putative oxygen source to afford a diverse array of heteroaryl products devoid of competitive remote Me group oxidation, or degradation of the heteroaryl N atom. Method development, substrate scope, and a preliminary mechanistic hypothesis supported by D. Functional Theory are presented herein. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Recommanded Product: Phenyl(pyridin-2-yl)methanone).

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. 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.Recommanded Product: Phenyl(pyridin-2-yl)methanone

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Novel structurally similar chromene derivatives with opposing effects on p53 and apoptosis mechanisms in colorectal HCT116 cancer cells was written by Lima, Cristovao F.;Costa, Marta;Proenca, M. F.;Pereira-Wilson, Cristina. And the article was included in European Journal of Pharmaceutical Sciences in 2015.Recommanded Product: 1-(Cyanomethyl)pyridin-1-ium chloride This article mentions the following:

In the present work, novel chromene derivatives fused with the imidazo[1,2-a]pyridine nucleus were tested for their anticancer potential in the human colorectal cancer HCT116 cells. Compounds 2a and 2c showed significant growth inhibitory activity with GI50 of 15 μM and 11 μM, resp. Compound 2c, the most potent, has a carbamate group in position 8 of the pyridine ring, and showed significant cell cycle arrest and induction of cell death by apoptosis, even at 5 μM. Besides different potencies, chromene analogs 2a and 2c showed different mechanisms of action. Whereas the carbamate-free chromene 2a induced cell cycle arrest at G1/G0 phase, compound 2c showed to arrest cell cycle at both S and G2 phases. Chromene derivative 2a at concentrations higher than its GI50 remarkably induced caspases-dependent apoptosis in a p53-independent manner. On the other hand, compound 2c increased significantly p53 levels and induced apoptosis in a p53- and caspases-dependent manner, even at concentrations lower than its GI50. Both compounds increased the Bax/Bcl-2 ratio, induced mitochondria depolarization and activated MAP kinases. In conclusion, two novel and structurally similar chromene derivatives showed cytotoxicity to HCT16 cells through opposing effects on p53 levels and apoptosis mechanisms, which may be relevant for further development of drugs acting on distinct mol. targets useful in the treatment of cancers with different genetic profiles and for personalized medicine. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3Recommanded Product: 1-(Cyanomethyl)pyridin-1-ium chloride).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) 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, 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. Recommanded Product: 1-(Cyanomethyl)pyridin-1-ium chloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem