Tag: 100-200

Ligand-controlled divergent dehydrogenative reactions of carboxylic acids via C-H activation was written by Wang, Zhen;Hu, Liang;Chekshin, Nikita;Zhuang, Zhe;Qian, Shaoqun;Qiao, Jennifer X.;Yu, Jin-Quan. And the article was included in Science (Washington, DC, United States) in 2021.Computed Properties of C7H9NO This article mentions the following:

Dehydrogenative transformations of alkyl chains to alkenes through methylene carbon-hydrogen (C-H) activation remain a substantial challenge. Two classes of pyridine-pyridone ligands that enable divergent dehydrogenation reactions through palladium-catalyzed 闁?methylene C-H activation of carboxylic acids, leading to the direct syntheses of 婵?闁?unsaturated carboxylic acids or 缂?alkylidene butenolides have been reported. The directed nature of this pair of reactions allows chemoselective dehydrogenation of carboxylic acids in the presence of other enolizable functionalities such as ketones, providing chemoselectivity that is not possible by means of existing carbonyl desaturation protocols. Product inhibition is overcome through ligand-promoted preferential activation of C(sp³)-H bonds rather than C(sp²)-H bonds or a sequence of dehydrogenation and vinyl C-H alkynylation. The dehydrogenation reaction is compatible with mol. oxygen as the terminal oxidant. In the experiment, the researchers used many compounds, for example, 4-Methoxy-2-methylpyridine (cas: 24103-75-1Computed Properties of C7H9NO).

4-Methoxy-2-methylpyridine (cas: 24103-75-1) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the 闂?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 闂?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.Computed Properties of C7H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ruthenium-Catalyzed Meta-Selective C-H Difluoromethylation of Phenol Derivatives was written by Xu, Xu;Tao, Na;Fan, Wei-Tai;Tu, Guangliang;Geng, Jingyao;Zhang, Jingyu;Zhao, Yingsheng. And the article was included in Journal of Organic Chemistry in 2020.Synthetic Route of C11H9NO This article mentions the following:

With pyrimidine as the directing group, we achieved the meta-selective difluoromethylation of phenol derivatives using ruthenium as a catalyst. This synthetic scheme provided an efficient method for the syntheses of fluorine-containing phenol derivatives A wide variety of phenol derivatives were well-suited, affording the corresponding products in moderate-to-good yields. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Synthetic Route of C11H9NO).

2-Phenoxypyridine (cas: 4783-68-0) belongs to pyridine derivatives. Pyridine has a conjugated system of six 闂?electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H闂佹椿浜滈妴鍗l 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.Synthetic Route of C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Palladacycles of sulfated and selenated Schiff bases of ferrocene-carboxaldehyde as catalysts for O-arylation and Suzuki-Miyaura coupling was written by Sharma, Alpesh K.;Joshi, Hemant;Bhaskar, Renu;Kumar, Satyendra;Singh, Ajai K.. And the article was included in Dalton Transactions in 2017.COA of Formula: C11H9NO This article mentions the following:

Schiff base ligands (L1: sulfated and L2: selenated) having a ferrocene core synthesized by reacting ferrocene-carboxaldehyde with 2-(phenylthio/seleno)ethylamine on treatment with Na₂PdCl₄ in the presence of NaOAc give cyclopalladated complexes [Pd(L1/L2-H)Cl] (1/2). Complex 1 of a sulfated Schiff base L1, on reacting with one equivalent of triphenylphosphine gives complex [Pd(L1-H)PPh₃Cl] (3), formed due to cleavage of a Pd-S bond. With 2 such a reaction does not occur, as a Pd-Se bond being stronger than that of its sulfur analog does not get cleaved. L1, L2 and their complexes 1–3 were authenticated with HR-MS, ¹H, ¹³C{¹H} and ⁷⁷Se{¹H} NMR spectroscopy. The single crystal structures of 1–3 were determined with x-ray diffraction. Palladium in all three complexes has nearly a square planar geometry. The Pd-S, Pd-Se and Pd-P bond distances are 2.4249(12), 2.5058(14) and 2.2445(17) 闂?resp. The catalytic activity of complexes 1–3 was explored for O-arylation of phenol and Suzuki-Miyaura coupling (SMC) of phenylboronic acid with aryl bromides and chlorides. The optimum reaction time for SMC of ArBr is 3 h whereas for ArCl it is 6 h. The TON values of O-arylation catalyzed with complexes 1–3 are up to 闂?70 (TOF, 28 h^-1) and SMC 闂?300 (TOF, 3100 h^-1) for the reaction time of the order of 3 and 6 h resp. The catalytic process is somewhat more efficient with 2 (Pd bonded with a selenoether group), than 3, followed by 1. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0COA of Formula: C11H9NO).

2-Phenoxypyridine (cas: 4783-68-0) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the 闂?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 闂?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. COA of Formula: C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bis(phosphine)cobalt Dialkyl Complexes for Directed Catalytic Alkene Hydrogenation was written by Friedfeld, Max R.;Margulieux, Grant W.;Schaefer, Brian A.;Chirik, Paul J.. And the article was included in Journal of the American Chemical Society in 2014.Application In Synthesis of 2-Isopropylpyridine This article mentions the following:

Planar, low-spin cobalt(II) dialkyl complexes bearing bidentate phosphine ligands, (P-P)Co(CH₂SiMe₃)₂, are active for the hydrogenation of geminal and 1,2-disubstituted alkenes. Hydrogenation of more hindered internal and endocyclic trisubstituted alkenes was achieved through hydroxyl group. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Application In Synthesis of 2-Isopropylpyridine).

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Radial Control of Recognition and Redox Processes with Multivalent Nanoparticle Hosts was written by Boal, Andrew K.;Rotello, Vincent M.. And the article was included in Journal of the American Chemical Society in 2002.COA of Formula: C7H9N3O This article mentions the following:

Mixed monolayer protected gold clusters (MMPCs) featuring both hydrogen bonding and aromatic stacking mol. recognition functionalities have been used to create multivalent hosts for flavins. Multitopic binding of these hosts to flavin was shown to have a strong radial dependence: when the recognition site was brought closer to the MMPC surface, recognition was enhanced 闂?-fold due to increased preorganization. The effect of preorganization is reversed upon reduction of flavin, where the MMPC with longer side chains bind the flavin guest 闂?-fold stronger than the short chain counterpart due to unfavorable dipolar interactions between the electron-rich aromatic stacking units of the host and the anionic flavin guest. This fine-tuning of recognition and redox processes provides both a model for enzymic systems and a tool for the fabrication of devices. In the experiment, the researchers used many compounds, for example, N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3COA of Formula: C7H9N3O).

N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of 闂?8.7 闂?10闂? cm3闁荤姾娅ｅΛ纭俵闂?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ闁荤姾娅ｅΛ纭俵闂? in the liquid phase and 140.4 kJ闁荤姾娅ｅΛ纭俵闂? 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: C7H9N3O

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Selective cyclooxygenase-2 inhibitors: heteroaryl modified 1,2-diarylimidazoles are potent, orally active antiinflammatory agents was written by Khanna, Ish K.;Yu, Yi;Huff, Renee M.;Weier, Richard M.;Xu, Xiangdong;Koszyk, Francis J.;Collins, Paul W.;Cogburn, J. Nita;Isakson, Peter C.;Koboldt, Carol M.;Masferrer, Jaime L.;Perkins, William E.;Seibert, Karen;Veenhuizen, Amy W.;Yuan, Jinhua;Yang, Dai-Chang;Zhang, Yan Y.. And the article was included in Journal of Medicinal Chemistry in 2000.Category: pyridine-derivatives This article mentions the following:

A series of heteroaryl modified 1,2-diarylimidazoles has been synthesized and found to be potent and highly selective (1000-9000-fold) inhibitors of the human COX-2. 3-Pyridyl-derived COX-2 selective inhibitor I exhibited excellent activity in acute (carrageenan induced paw edema, ED₅₀ = 5.4 mg/kg) and chronic (adjuvant induced arthritis, ED₅₀ = 0.25 mg/kg) models of inflammation. The relatively long half-life of I in rat and dog prompted investigation of the pyridyl and other heteroaromatic systems containing potential metabolic functionalities. A number of substituted pyridyl and thiazole containing compounds. e.g., II, demonstrated excellent oral activity in every efficacy model evaluated. Several orally active diarylimidazoles exhibited desirable pharmacokinetics profiles and showed no GI toxicity in the rat up to 100 mg/kg in both acute and chronic models. The paper describes facile and practical syntheses of the targeted diarylimidazoles. The structure-activity relationships and antiinflammatory properties of a series of diarylimidazoles are discussed. In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4Category: pyridine-derivatives).

4-Methylpicolinonitrile (cas: 1620-76-4) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the 闂?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 闂?bonds. 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

Directed ortho C-H borylation catalyzed using Cp*Rh(III)-NHC complexes was written by Thongpaen, Jompol;Schmid, Thibault E.;Toupet, Loic;Dorcet, Vincent;Mauduit, Marc;Basle, Olivier. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2018.Quality Control of 2-(m-Tolyl)pyridine This article mentions the following:

Cp*Rh(NHC) complexes I(R = ⁱBu, ⁱPr, Me), derived from L-amino acids, with bulky chiral bidentate NHC-carboxylate ligands were efficiently synthesized and fully characterized including solid-state structures. These unprecedented rhodium(III) complexes demonstrated high selectivity in pyridine-directed ortho-C-H borylation of arenes under mild conditions. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9Quality Control of 2-(m-Tolyl)pyridine).

2-(m-Tolyl)pyridine (cas: 4373-61-9) 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闂備胶鍋ㄩ崕鎻掝嚕?in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Quality Control of 2-(m-Tolyl)pyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ionic liquids: predictions of physicochemical properties with experimental and/or DFT-calculated LFER parameters to understand molecular interactions in solution was written by Cho, Chul-Woong;Preiss, Ulrich;Jungnickel, Christian;Stolte, Stefan;Arning, Juergen;Ranke, Johannes;Klamt, Andreas;Krossing, Ingo;Thoeming, Jorg. And the article was included in Journal of Physical Chemistry B in 2011.Application of 125652-55-3 This article mentions the following:

We present evolutionary models to predict the octanol-water partition coefficients (log P), water solubilities, and critical micelle concentrations (CMCs) of ionic liquids (ILs), as well as the anionic activity coefficients and hydrophobicities in pure water and octanol-water. They are based on a polyparameter linear free energy relationship (LFER) using measured and/or DFT-calculated LFER parameters: hydrogen-bonding acidity (A), hydrogen-bonding basicity (B), polarizability/dipolarity (S), excess molar refraction (E), and McGowan volume (V) of IL ions. With both calculated or exptl. LFER descriptors of IL ions, the physicochem. parameters were predicted with an errors of 0.182-0.217 for the octanol-water partition coefficient and 0.131-0.166 logarithmic units for the water solubility Because exptl. determined solute parameters of anions are not currently available, the CMC, anionic activity coefficient, and hydrophobicity were predicted with quantum-chem. methods with R² values of at least 0.99, as well as errors below 0.168 logarithmic units. These new approaches will facilitate the assessment of the tech. applicability and environmental fate of ionic compounds even before their synthesis. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3Application of 125652-55-3).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) 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. 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 of 125652-55-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Biorefining of pigeon pea: residue conversion by pyrolysis was written by Tanquilut, Mari Rowena C.;Genuino, Homer C.;Wilbers, Erwin;Amongo, RossanaMarie C.;Suministrado, Delfin C.;Yaptenco, Kevin F.;Elauria, Marilyn M.;Elauria, Jessie C.;Heeres, Hero J.. And the article was included in Energies (Basel, Switzerland) in 2020.Related Products of 28020-37-3 This article mentions the following:

Pyrolysis is an important technol. to convert lignocellulosic biomass to a renewable liquid energy carrier known as pyrolysis oil or bio-oil. Herein we report the pyrolysis of pigeon pea wood, a widely available biomass in the Philippines, in a semi-continuous reactor at gram scale. The effects of process conditions such as temperature (400-600 闂佺娅ｉ悡?, nitrogen flow rate (7-15 mL min^-1) and particle size of the biomass feed (0.5-1.3 mm) on the product yields were determined A Box-Behnken three-level, three-factor fractional factorial design was carried out to establish process-product yield relations. Of particular interest is the liquid product (bio-oil), of which the yield was shown to depend on all independent variables in a complex manner. The optimal conditions for highest bio-oil yield (54 weight% on dry feed intake) were a temperature of 466 闂佺娅ｉ悡? a nitrogen flow rate of 14 mL min^-1 and a particle size of 1.3 mm. Validation of the optimized conditions proved that the average (n = 3) exptl. bio-oil yield (52 weight%) is in good agreement with the predicted value from the model. The properties of product oils were determined using various anal. techniques including gas chromatog.-mass spectrometry (GC-MS), gel-permeation chromatog. (GPC), NMR spectroscopy (13C- and HSQC-NMR) and elemental and proximate analyses. The bio-oils were shown to have low ash content (0.2%), high heating value (29 MJ kg^-1) and contain high value-added phenolics compounds (41%, GC peak area) as well as low mol. weight aldehydes and carboxylic acids. GPC anal. indicated the presence of a considerable amount of higher mol. weight compounds NMR measurements showed that a large proportion of bio-oil contains aliphatic carbons (~60%), likely formed from the decomposition of (hemi)cellulose components, which are abundantly present in the starting pigeon pea wood. Subsequent preliminary scale-up pyrolysis experiments in a fluidized bed reactor (~100 gfeed h-1, 475 闂佺娅ｉ悡?and N2 flow rate of 1.5 L min^-1) gave a non-optimized bio-oil yield of 44 weight%. Further fractionation and/or processing are required to upgrade these bio-oils to biofuels and biobased chems. In the experiment, the researchers used many compounds, for example, 3-Amino-2,6-dimethoxypyridine (cas: 28020-37-3Related Products of 28020-37-3).

3-Amino-2,6-dimethoxypyridine (cas: 28020-37-3) 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.Related Products of 28020-37-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis, optical and theoretical characterization of heteroleptic Iridium(III) Imidazo[1,5-a]pyridine and -quinoline complexes was written by Herr, Jasmin Martha;Roessiger, Carina;Locke, Harald;Wilhelm, Mikko;Becker, Jonathan;Heimbrodt, Wolfram;Schlettwein, Derck;Goettlich, Richard. And the article was included in Dyes and Pigments in 2020.Recommanded Product: Phenyl(pyridin-2-yl)methanone This article mentions the following:

Blue OLEDs are still a challenge of today’s photoelectrochem. The third generation of OLEDs is based on thermally activated delayed fluorescence (TADF). A series of heteroleptic iridium(III) imidazo[1,5-a]pyridine and -quinoline complexes with potential TADF behavior was synthesized and characterized via UV-Vis absorption and fluorescence spectroscopy as well as measurements of the excited state lifetime. The exptl. results were confirmed by computational calculations of the relative energy of the first excited singlet and triplet states. In addition, the HOMO and LUMO levels were calculated with DFT and compared to values estimated from redox potentials determined by cyclic voltammetry. For the first time, a TADF mechanism of these compounds has been proven. 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 闂?electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H闂佹椿浜滈妴鍗l 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: Phenyl(pyridin-2-yl)methanone

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem