Tag: 100-200

Synthesis and antibacterial activity of novel fluoroquinolones containing substituted piperidines was written by Dang, Zhao;Yang, Yushe;Ji, Ruyun;Zhang, Shuhua. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2007.Application In Synthesis of tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate This article mentions the following:

The design and synthesis of new fluoroquinolone antibacterial agents, e.g., I, having substituted piperidine rings at the C-7 position are described. Most of the new compounds demonstrated high in vitro antibacterial activity. Several of them exhibited significant activities against Gram-pos. organisms, which were more potent than those of gemifloxacin, Linezolid, and vancomycin. In the experiment, the researchers used many compounds, for example, tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4Application In Synthesis of tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate).

tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. 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. Application In Synthesis of tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reaction of pyridine 1-oxides with isocyanates: Structure of the intermediates. Rationalization of rearrangements of six-membered heteroaromatic N-oxide derivatives was written by Abramovitch, Rudolph A.;Shinkai, Ichiro;Van Dahm, Richard. And the article was included in Journal of Heterocyclic Chemistry in 1976.Recommanded Product: 3,5-Dimethylpyridine 1-oxide This article mentions the following:

Structure I (R = H, Br) claimed by Hisano, Matsuoka, and Ichikawa (1974) to be obtained from the reaction of 3,5-lutidine 1-oxide with 4-RC6H4NCO was determined to be II obtained by a rearrangement supported by MINDO/2′ calculations on relative heats of formation of analogous compounds Reduction and NMR studies of II also confirmed this structure. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Recommanded Product: 3,5-Dimethylpyridine 1-oxide).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Recommanded Product: 3,5-Dimethylpyridine 1-oxide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Aerobic Pd-Catalyzed sp³ C-H Olefination: A Route to Both N-Heterocyclic Scaffolds and Alkenes was written by Stowers, Kara J.;Fortner, Kevin C.;Sanford, Melanie S.. And the article was included in Journal of the American Chemical Society in 2011.Category: pyridine-derivatives This article mentions the following:

This communication describes a new method for the Pd/polyoxometalate-catalyzed aerobic olefination of unactivated sp³ C-H bonds. Nitrogen heterocycles, particularly pyridines, serve as directing groups, and air is used as the terminal oxidant. The products undergo reversible intramol. Michael addition, which protects the monoalkenylated product from overfunctionalization. Hydrogenation of the Michael adducts provides access to bicyclic nitrogen-containing scaffolds that are prevalent in alkaloid natural products. Addnl., the cationic Michael adducts undergo facile elimination to release α,β-unsaturated olefins, which can be further elaborated via C-C and C-heteroatom bond-forming reactions. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Category: pyridine-derivatives).

2-Isopropylpyridine (cas: 644-98-4) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. 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. Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Nickel-Catalyzed Formal Aminocarbonylation of Unactivated Alkyl Iodides with Isocyanides was written by Huang, Wenyi;Wang, Yun;Weng, Yangyang;Shrestha, Mohini;Qu, Jingping;Chen, Yifeng. And the article was included in Organic Letters in 2020.Safety of tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate This article mentions the following:

Herein, disclosed a Ni-catalyzed formal aminocarbonylation of primary and secondary unactivated aliphatic iodides with isocyanides to afford alkyl amide, e.g., I, which proceeded via the selective monomigratory insertion of isocyanides with alkyl iodides, subsequent β-hydride elimination, and hydrolysis process. The reaction featured wide functional group tolerance under mild conditions. Addnl., the selective, one-pot hydrolysis of reaction mixture under acid conditions allowed for expedient synthesis of the corresponding alkyl carboxylic acid. In the experiment, the researchers used many compounds, for example, tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4Safety of tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate).

tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4) 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. 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 tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Generating Multibillion Chemical Space of Readily Accessible Screening Compounds was written by Grygorenko, Oleksandr O.;Radchenko, Dmytro S.;Dziuba, Igor;Chuprina, Alexander;Gubina, Kateryna E.;Moroz, Yurii S.. And the article was included in iScience in 2020.Computed Properties of C7H7NO3 This article mentions the following:

An approach to the generation of ultra-large chem. libraries of readily accessible (‘REAL’) compounds is described. The strategy is based on the use of two- or three-step three-component reaction sequences and available starting materials with pre-validated chem. reactivity. After the preliminary parallel experiments, the methods with at least ~80% synthesis success rate (such as acylation – deprotection – acylation of monoprotected diamines e.g., 1-boc-amino-butyl-3-amine or amide formation e.g., N-(9-acetyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide – click reaction with functionalized azides e.g., 3-(azidomethyl)-piperidine) can be selected and used to generate the target chem. space. It is shown that by using only on the two aforementioned reaction sequences, a nearly 29-billion compound library is easily obtained. According to the predicted physico-chem. descriptor values, the generated chem. space contains large fractions of both drug-like and ‘beyond rule-of-five’ members, whereas the strictest lead-likeness criteria (the so-called Churcher’s rules) are met by the lesser part, which still exceeds 22 million. In the experiment, the researchers used many compounds, for example, 1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid (cas: 59864-31-2Computed Properties of C7H7NO3).

1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid (cas: 59864-31-2) 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). Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Computed Properties of C7H7NO3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

¹⁹F- and ¹⁸F-arene deoxyfluorination via organic photoredox-catalysed polarity-reversed nucleophilic aromatic substitution was written by Tay, Nicholas E. S.;Chen, Wei;Levens, Alison;Pistritto, Vincent A.;Huang, Zeng;Wu, Zhanhong;Li, Zibo;Nicewicz, David A.. And the article was included in Nature Catalysis in 2020.Recommanded Product: 51834-97-0 This article mentions the following:

Nucleophilic aromatic substitution (S_NAr) is routinely used to install ¹⁹F- and ¹⁸F- in aromatic mols., but it is typically limited to electron-deficient arenes due to kinetic barriers associated with C-F bond formation. A polarity-reversed photoredox-catalyzed arene deoxyfluorination that operates via cation-radical-accelerated S_NAr enables the fluorination of electron-rich arenes 4-ClC₆H₄OR (R = 4-phenylphenyl, 3-methoxypyridin-2-yl, 2,4-bis(tert-butoxy)pyrimidin-5-yl, 4-[(2S)-2-([(tert-butoxy)carbonyl]amino)-3-methoxy-3-oxopropyl]benzen-1-yl, etc.) with ¹⁹F- and ¹⁸F- under mild conditions, and thus complements the traditional arene polarity requirements necessary for S_NAr-based fluorination. The utility of radiofluorination strategy is highlighted by short reaction times, compatibility with multiple nucleofuges and high radiofluorination yields ¹⁸FR, especially that of an important cancer positron emission tomog. agent [¹⁸F]5-fluorouracil. Taken together, fluorination approach enables the development of fluorinated ¹⁹FR and radiofluorinated compounds ¹⁸FR that can be difficult to access by classical S_NAr strategies, with the potential for use in the synthesis and discovery of positron emission tomog. radiopharmaceuticals. In the experiment, the researchers used many compounds, for example, 5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0Recommanded Product: 51834-97-0).

5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. 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: 51834-97-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Silylcarboxylic Acids as Bifunctional Reagents: Application in Palladium-Catalyzed External-CO-Free Carbonylative Cross-Coupling Reactions was written by Li, Xiong;Xu, Jie;Li, Yue;Kramer, Soeren;Skrydstrup, Troels;Lian, Zhong. And the article was included in Advanced Synthesis & Catalysis in 2020.HPLC of Formula: 91-02-1 This article mentions the following:

A palladium-catalyzed external-CO-free carbonylative Hiyama-Denmark cross-coupling reaction is presented. The introduction of silylcarboxylic acids I (R = 4-Me, 3-Me, 2-Me, 4-tert-butyl) as bifunctional reagents (CO and nucleophile source) avoids the need for external gaseous CO and a silylarene coupling partner. The transformation features high functional group tolerance and it is successful with electron-rich, -neutral, and -poor aryl iodides ArI (Ar = 4-methoxyphenyl, naphthalen-1-yl, thiophen-3-yl, etc.). Stoichiometric studies and control experiments provide insight into the reaction mechanism and support the hypothesized dual role of silylcarboxylic acids. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1HPLC of Formula: 91-02-1).

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.HPLC of Formula: 91-02-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

A priori prediction of the octanol-water partition coefficient (K_ow) of ionic liquids was written by Lee, Bong-Seop;Lin, Shiang-Tai. And the article was included in Fluid Phase Equilibria in 2014.Reference of 125652-55-3 This article mentions the following:

The octanol-water partition coefficient (K_ow) of ionic liquids (ILs) is an important indicator for its toxicity and environment impact. In this work, the K_ow is determined from the ratio of infinite dilution activity coefficient of IL in the water-rich and octanol-rich phases. In particular, the Pitzer-Debye-Hueckel (PDH) model combined with the predictive COSMO-SAC model is used for calculating the activity coefficients A root-mean square deviation of 0.75 is achieved for log K_ow, or a factor of 4 in K_ow, for a total of 67 ILs at ambient condition. The long-range coulomb interactions (from the DH model) contribute an almost constant value of -1.35 to log K_ow, regardless of the type of IL. The change of log K_ow with the mol. structure of IL is found to be dominated by the short-range attractive interactions between the IL and the solvents, including the hydrogen bonding and nonhydrogen bonding surface interactions. The combination of PDH and COSMO-SAC models provides not only the quant. predictions of K_ow of ILs and but also phys. insights to the relations between K_ow and the mol. structure of ILs. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3Reference of 125652-55-3).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) 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 groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Reference of 125652-55-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Predicting Toxicity of Ionic Liquids in Acetylcholinesterase Enzyme by the Quantitative Structure-Activity Relationship Method Using Topological Indexes was written by Yan, Fangyou;Xia, Shuqian;Wang, Qiang;Ma, Peisheng. And the article was included in Journal of Chemical & Engineering Data in 2012.SDS of cas: 17281-59-3 This article mentions the following:

A new topol. index (TI) was proposed based on atom characters (e.g., atom radius, atom electronegativity, etc.) and atom positions in the hydrogen-suppressed mol. structure in our previous work. In this work, the TI was used for predicting the toxicity of ILs in acetylcholin esterase (log EC₅₀ AChE) by the multiple linear regression (MLR) method. For ILs composed entirely of cations and anions, the TIs are calculated from cations and anions, resp. The 221 ILs used in the MLR model are based on imidazolium (Im), pyridinium (Pyi), pyrrolidinium (Pyo), ammonium (Am), phosphonium (Ph), quinolinium (Qu), piperidinium (Pi), and morpholinium (Mo). The regression coefficient (R²) and the overall average absolute error (AAE) are 0.877 and 0.153, resp. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3SDS of cas: 17281-59-3).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.SDS of cas: 17281-59-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Studies on bismaleimides and related materials: 1. DMTA investigation of the reaction of bismaleimides with m-tolualdehyde azine and 3,5-dimethylpyridine N-oxide: an approach to the design of novel reactive diluents was written by Davidson, G.;Soutar, I.;Preston, P. N.;Shah, V. K.;Simpson, S. W.;Stewart, N. J.. And the article was included in Polymer in 1994.Application of 3718-65-8 This article mentions the following:

Dynamic mech. thermal anal. (DMTA) profiles have been recorded for interaction of m-tolualdehyde azine and 3,5-dimethylpyridine N-oxide with the bismaleimide (BMI) derived from 3,3′-diaminobenzophenone. Addnl. chem. events for each system are recognized at temperatures below the conventional BMI curing region. Resins prepared from the BMI/azine and BMI/N-oxide systems have lower thermal stability than the neat resin but differences are moderate at low additive concentrations In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Application of 3718-65-8).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. 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 3718-65-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem