Tag: 100-200

Growth, characterisation and DFT investigations on 3-hydroxy-6-methyl-2-nitropyridine (3H6M2NP) – A novel third order nonlinear optical material was written by Justin, P.;Anitha, K.. And the article was included in Journal of Molecular Structure in 2021.Formula: C6H6N2O3 This article mentions the following:

Single crystals of nitropyridine derivative 3-hydroxy-6-Me-2-nitropyridine were grown by slow evaporation solution growth technique using EtOH. 3H6M2NP was crystallized in orthorhombic crystal system with centrosym. space group Pbca. The crystalline nature, presence of functional groups and its vibrational modes were assigned using FTIR and FT-Raman spectroscopic techniques. The UV-visible spectrum reveals 3H6M2NP crystal is transparent in the visible region with lower cut-off wavelength. The luminescence properties were confirmed by PL spectrum and 3H6M2NP crystal exhibited thermal stability up to 182°. The mol. structure of 3H6M2NP was optimized and all ab initio calculations were done theor. From Z-scan technique, the 3rd order nonlinear optical susceptibility of the grown crystal is χ³ = 2.616 × 10^-8 esu. The hyperpolarizability value is 2.9 times larger than that of the urea which settles the NLO activity. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Formula: C6H6N2O3).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol� in pyridine vs. 150 kJ·mol� in benzene). Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Formula: C6H6N2O3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Head-to-Tail interlocking aromatic rings of a hydrazine functionalized Schiff base for the development of Nano-aggregates with blue emission: Structural and spectroscopic characteristics was written by Kumar Mudi, Prafullya;Das, Ajit;Mahata, Nagendranath;Biswas, Bhaskar. And the article was included in Journal of Molecular Liquids in 2021.COA of Formula: C12H9NO This article mentions the following:

We report the synthesis, physicochem. and morphol. characterization, supramol. interactions and aggregation-induced blue emission of a newly developed Schiff base, 1,2-bis(phenyl(pyridin-2-yl)methylene)hydrazine (P18). The compound was synthesized through a condensation reaction between hydrazine and 2-benzoylpyridine under reflux in ethanol. The photophys. behavior of the Schiff base was studied in both monomeric and aggregated forms. Interestingly, the mol. aggregate showed a significant blue shift with âˆ?20 fold higher fluorescence intensity with lifetime, 0.99 ns in the aqueous phase than that of monomeric form, attributed to the development of J-type aggregation. The crystal structure, C-H···π and π…π interactions, were enumerated to decipher the nature of aggregation. The Schiff base consisting of four aromatic rings (two pyridine and two Ph rings) displayed a short C-H···π and a long distant π···π interactions causing a head-to-tail type interlocking of aromatic rings. Energy framework anal. confirmed the predominance of dispersive forces (-192.4 kJ/mol) to the cluster of mols., thus playing a significant role in the restriction of intramol. motion of the aromatic rings of P18. A restrain on the rotational probability of = N-N = and Ar-C- bonds leads to an enhancement of an intense fluorescence property of nano-aggregate with blue light emission in solid state. The propagation of the rectangular-shaped monomeric probe in the nano-aggregate with an average hydrodynamic size of 270(±3) nm was established with field emission SEM, dynamic scattering light, and electron dispersive X-ray spectral anal. 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. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. 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: C12H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Palladium-Catalyzed C-H Bond Functionalization Reactions Using Phosphate/Sulfonate Hypervalent Iodine Reagents was written by He, Yimiao;Huang, Lilan;Xie, Limei;Liu, Peng;Wei, Qiongmei;Mao, Fangfang;Zhang, Xuehong;Huang, Jun;Chen, Sijing;Huang, Chusheng. And the article was included in Journal of Organic Chemistry in 2019.Application of 4373-61-9 This article mentions the following:

In the presence of Pd(OAc)₂, 8-methylquinolines and 8-ethylquinoline underwent directed and regioselective oxidative phosphorylation, phosphination, sulfonylation, and hydroxylation reactions with (hydroxy)aryliodine phosphates, phosphinates, and sulfonates to yield 8-quinolinylmethyl phosphates, phosphinates, sulfonates, and alcs. 2-Arylpyridines underwent hydroxylation and arylation reactions under similar conditions to yield 2-(2-pyridinyl)phenols and biarylpyridines, resp. The quinolinylmethyl sulfonates underwent further substitution reactions. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9Application of 4373-61-9).

2-(m-Tolyl)pyridine (cas: 4373-61-9) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol� in pyridine vs. 150 kJ·mol� 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. Application of 4373-61-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Design and Synthesis of New Pyrazole-Based Heterotricycles and their Derivatization by Automated Library Synthesis was written by Fricero, Prisca;Bialy, Laurent;Czechtizky, Werngard;Mendez, Maria;Harrity, Joseph P. A.. And the article was included in ChemMedChem in 2020.SDS of cas: 116922-60-2 This article mentions the following:

This work highlighted how a readily assembled N-hydroxyethyl pyrazole trifluoroborate offered rapid access to architecturally distinct 5-6-6- and 5-7-6-fused tricyclic compounds such as I [R = F, NO₂, CO₂H, etc.] and II [R¹ = NEt₂, N-morpholino, NHCH₂-2-pyridyl, etc.]. This chem. was not only amenable to single compound synthesis, but also to high-throughput experimentation. It give easy access to diverse compound arrays with various physicochem. and ADME profiles by fully automated library synthesis. The combination of the high-throughput experimentation with rapid testing of the compounds in an integrated physicochem. and ADME profiling workflow allowed accelerated design of novel lead compounds in drug-discovery projects. In the experiment, the researchers used many compounds, for example, 3-Bromo-4-fluoropyridine (cas: 116922-60-2SDS of cas: 116922-60-2).

3-Bromo-4-fluoropyridine (cas: 116922-60-2) 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. SDS of cas: 116922-60-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Catalyst-Free N-Deoxygenation by Photoexcitation of Hantzsch Ester was written by Konev, Mikhail O.;Cardinale, Luana;Jacobi von Wangelin, Axel. And the article was included in Organic Letters in 2020.Reference of 3718-65-8 This article mentions the following:

A mild and operationally simple protocol for the deoxygenation of a variety of heteroaryl N-oxides and nitroarenes has been developed. A mixture of substrate and Hantzsch ester is proposed to result in an electron donor-acceptor complex, which upon blue-light irradiation undergoes photoinduced electron transfer between the two reactants to afford the products. N-oxide deoxygenation is demonstrated with 22 examples of functionally diverse substrates, and the chemoselective reduction of nitroarenes to the corresponding hydroxylamines is also shown. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Reference of 3718-65-8).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) 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.Reference of 3718-65-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of phenoxypyridines under phase transfer catalysis conditions was written by Abele, E.;Gol’dberg, Yu. Sh.;Gavars, M.;Gaukhman, A. P.;Shimanskaya, M. V.. And the article was included in Khimiya Geterotsiklicheskikh Soedinenii in 1988.Quality Control of 2-Phenoxypyridine This article mentions the following:

Reaction of halopyridines with PhOM (M = Na, K) in a two-phase liquid-solid catalytic system gave phenoxypyridine. With polyhalopyridines, substitution occurred at the α- and γ-positions. Reaction of o-(KO)₂C₆H₄ with 2,3,5,6-tetrabromopyridine gave azaphenoxane I. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Quality Control of 2-Phenoxypyridine).

2-Phenoxypyridine (cas: 4783-68-0) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol� in pyridine vs. 150 kJ·mol� in benzene). 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.Quality Control of 2-Phenoxypyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chemoselective oxidation of aryl organoboron systems enabled by boronic acid-selective phase transfer was written by Molloy, John J.;Clohessy, Thomas A.;Irving, Craig;Anderson, Niall A.;Lloyd-Jones, Guy C.;Watson, Allan J. B.. And the article was included in Chemical Science in 2017.Electric Literature of C6H7NO2 This article mentions the following:

The authors report the direct chemoselective Brown-type oxidation of aryl organoboron systems containing two oxidizable B groups. Basic biphasic reaction conditions enable selective formation and phase transfer of a boronic acid trihydroxyboronate in the presence of boronic acid pinacol (BPin) esters, while avoiding speciation equilibrium Spectroscopic studies validate a base-promoted phase-selective discrimination of organoboron species. This phenomenon is general across a broad range of organoboron compounds and can also be used to invert conventional protecting group strategies, enabling chemoselective oxidation of BMIDA species over normally more reactive BPin substrates. The authors also demonstrate the selective oxidation of diboronic acid systems with chemoselectivity predictable a priori. The utility of this method is exemplified through the development of a chemoselective oxidative nucleophile coupling. In the experiment, the researchers used many compounds, for example, 5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0Electric Literature of C6H7NO2).

5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0) 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 derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Electric Literature of C6H7NO2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

From Hydrate to Peroxosolvate: A Test of Prediction with Cyclic N-Oxides was written by Foroughi, Leila M.;Matzger, Adam J.. And the article was included in Crystal Growth & Design in 2021.Reference of 3718-65-8 This article mentions the following:

Peroxosolvate formation is a promising method for developing energetic materials with improved properties (e.g., oxygen balance and overall performance); however, one challenge that remains is the prediction of compounds that are likely to form peroxosolvates. Hydrogen bond donation in hydrate structures was exploited to identify possible hydrogen peroxide solvate formers in the Cambridge Structural Database, leading to the discovery of a peroxosolvate crystal form for each of the six N-oxide compounds that met the search criteria. The resulting peroxosolvates were characterized by single-crystal X-ray diffraction and Raman spectroscopy, and the crystal structures were compared with the corresponding hydrate structures to identify trends in hydrogen bond donation, demonstrating that, in the developed peroxosolvates, the O-H···O-N interaction is stronger in the peroxosolvate than in the hydrate. The success of this peroxosolvate discovery strategy for N-oxide-containing compounds provides insight into how to identify target mols. that may form peroxosolvates; this study will affect energetic materials in particular, where the compounds can be dangerous to handle and/or difficult to synthesize. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Reference of 3718-65-8).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) 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. Reference of 3718-65-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Evaluation of analgesic and antiplatelet activity of 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid was written by Caroline;Foe, Kuncoro;Yesery Esar, Senny;Soewandi, Ami;Wihadmadyatami, Hevi;Widharna, Ratna Megawati;Tamayanti, Wahyu Dewi;Kasih, Elisabeth;Tjahjono, Yudy. And the article was included in Prostaglandins and Other Lipid Mediators in 2019.Recommanded Product: Pyridinehydrochloride This article mentions the following:

Acetylsalicylic acid is used as a non-steroidal anti-inflammatory drugs (NSAID) and antiplatelet agents by inhibiting cyclooxygenases. However, therapy using acetylsalicylic acid could induce gastric bleeding and cause other gastrointestinal toxicity. The aim of this study was to demonstrate the synthesis of a new compound bearing salicylic acid residue namely 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid, to analyze its potential as a ligand for human cyclooxygenase-2 (COX-2) receptor, to evaluate its toxicity level and its effectiveness for analgesic and antiplatelet agent compared with acetylsalicylic acid. Synthesis of 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid was conducted by microwave irradiation The purity of this compound was evaluated with TLC, IR, NMR, and EDS spectroscopy. The chem. characterization and docking studies against human COX-2 (PDB:5F1A) was performed in-silico. The acute oral toxicity assay was performed under OECD guidelines. The analgesic activity study was performed by plantar and writhing test on animal model. For anti-platelet activity study, we performed tail-bleeding assay and flow cytometry based platelet aggregation assay. We could successfully synthesize a pure white crystalline 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid. In-Silico G-Score result of those compounds gives us preliminary hint of the potential affinity of this compound as a ligand for COX-2 receptor (PDB: 5F1A). Acute toxicity and microscopic gastrointestinal assessments indicated non-observable harmful toxicity parameters. The plantar response time of 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid treated groups showed a significant increment (P < 0.01), and the nociceptive response in writhing test demonstrated a significant dose-dependent decrement. This indicated that its analgesic activity was better than acetylsalicylic acid. The platelet aggregation of 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid was lower than its controls, indicating an aggregation inhibition pattern. The animals treated with 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid gave a longer bleeding time. Overall, this study demonstrated a successful synthesis of pure 2-((3-(chloromethyl)benzoyl)oxy) benzoic acid. We postulated that this compound was better than acetylsalicylic acid, exhibiting excellent analgesic and antiplatelet activity with no toxicity impact. In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7Recommanded Product: Pyridinehydrochloride).

Pyridinehydrochloride (cas: 628-13-7) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Recommanded Product: Pyridinehydrochloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Metal-free photocatalysts for the oxidation of non-activated alcohols and the oxygenation of tertiary amines performed in air or oxygen was written by Zhang, Yu;Schilling, Waldemar;Riemer, Daniel;Das, Shoubhik. And the article was included in Nature Protocols in 2020.Electric Literature of C12H9NO This article mentions the following:

This protocol described the use of 9-fluorenone as a cheap and non-toxic photocatalyst for oxidation of non-activated alcs. performed under irradiation of a blue light-emitting diode. It also described use of similarly cheap and non-toxic photocatalyst rose bengal for selective α-oxygenation of tertiary amines to produce corresponding amides in a selective way using the same light source. The detailed instructions on how to assemble the light-emitting diode equipment and set up photocatalytic reaction, where an oxygen atm. was created with O₂-filled balloon was provided. Further details were provided using four example reactions that illustrate how this system works: alc. oxidation to prepare terephthalaldehyde and androstanedione, and amine oxidation to make 2-phenyl-3,4-dihydroisoquinolin-1(2H)-one and (4-((4-chlorophenyl)(phenylmethyl)piperazin-1-yl)m-tolyl)methanone. The times needed to perform these photocatalytic reactions were 18, 76, 22 and 54 h, resp. It was believe that this protocol represents a robust methodol. for late-stage modification of amines and selective oxidation of steroids. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Electric Literature of 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. 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.Electric Literature of C12H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem