Tag: 100-200

A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis was written by Gonzalez, Maykel Perez;Diaz, Humberto Gonzalez;Cabrera, Miguel Angel;Ruiz, Reinaldo Molina. And the article was included in Bioorganic & Medicinal Chemistry in 2004.Category: pyridine-derivatives This article mentions the following:

The TOPol. Substructural Mol. DEsign (TOPS-MODE) has been successfully used in order to explain the toxicity in the Tetrahymena pyriformis on a large data set. The obtained models for the training set had good statistical parameters (R²=0.72-0.81, p<0.05) an also the prediction power of the models found was adequate (Q²=0.70-0.80). A detailed study of the influence of variable numbers in the equation and the statistical outliers was carried out; leading to a good final model with a better physicochem. interpretation than the rest of the published models. Only two mol. descriptors codifying dipolar and hydrophobic features were introduced. Finally, the fragment contributions to the toxicity prediction evidenced the powerful of this topol. approach. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Category: pyridine-derivatives).

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−1 in pyridine vs. 150 kJ·mol−1 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.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of melatonin analogues derived from furo[2,3-b]- and -[2,3-c]pyridines by use of a palladium-copper catalyst system was written by Van de Poel, Herve;Guillaumet, Gerald;Viaud-Massuard, Marie-Claude. And the article was included in Heterocycles in 2002.SDS of cas: 51834-97-0 This article mentions the following:

2,3,5-Substituted furo[2,3-b]pyridine was synthesized by palladium-catalyzed reaction of 5-bromo-2-hydroxy-3-iodopyridine and phenylacetylene with (Ph₃P)₂PdCl₂, CuI in Et₃N. A carbonylative cyclization of 5-hydroxy-2-methoxy-4-(2-phenylethynyl)pyridine with carbon monoxide in methanol with PdCl₂, CuCl₂ under basic conditions, has been accomplished to prepare Me 2,5-substituted furo[2,3-c]pyridine-3-carboxylate. In the experiment, the researchers used many compounds, for example, 5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0SDS of cas: 51834-97-0).

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 groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.SDS of cas: 51834-97-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Forecast pK_a and logP values of the substituted pyridine by natural atomic orbital charges was written by Fei, Ning-ye;Xu, Wei-hui;Zheng, Jing-da;Ding, Chao;Xu, Sha-sha;Xu, Sha-sha;Zhong, Ai-guo. And the article was included in Guangzhou Huagong in 2013.Computed Properties of C8H11N This article mentions the following:

Using the d. functional theory (DFT) and B3LYP/3-21G level group, optimization of the mol. structure of 24-substituted pyridines, it was found between the pyridine ring nitrogen atom natural AOs charge value (NBO) and its exptl. ionization constants values (logK_a) and n-octanol-water partition coefficient (logP), there was a good linear relationship (R₁=0.98, R₂=0.88). Then kinds of unknown logK_a/logP value of multi-substituted pyridine compounds NBO parameters were substituted into the fitted one-parameter linear equations. It was found that polysubstituted with popular software ACD Lab 6.0 was close to the forecast pyridine logK_a/logP values, with the correlation coefficient R between 0.80-0.90 and the relative deviation between 1%-3%. 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. 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.Computed Properties of C8H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Identification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8) was written by Sreekantha, Ratna Kumar;Mussari, Christopher P.;Dodd, Dharmpal S.;Pasunoori, Laxman;Hegde, Subramanya;Posy, Shana L.;Critton, David;Ruepp, Stefan;Subramanian, Murali;Salter-Cid, Luisa M.;Tagore, Debarati Mazumder;Sarodaya, Sanket;Dudhgaonkar, Shailesh;Poss, Michael A.;Schieven, Gary L.;Carter, Percy H.;Macor, John E.;Dyckman, Alaric J.. And the article was included in ACS Medicinal Chemistry Letters in 2022.Product Details of 131747-45-0 This article mentions the following:

The toll-like receptors (TLRs) play key roles in activation of the innate immune system. Aberrant activation of TLR7 and TLR8 pathways can occur in the context of autoimmune disorders due to the elevated presence and recognition of self-RNA as activating ligands. Control of this unintended activation via inhibition of TLR7/8 signaling holds promise for the treatment of diseases such as psoriasis, arthritis, and lupus. Optimization of a 2-pyridinylindole series of compounds led to the identification of potent dual inhibitors of TLR7 and TLR8, which demonstrated good selectivity against TLR9 and other family members. The in vitro characterization and in vivo evaluation in rodent pharmacokinetic/pharmacodynamic and efficacy studies of BMS-905 is detailed, along with structural information obtained through X-ray cocrystallog. studies. In the experiment, the researchers used many compounds, for example, (4-Bromopyridin-2-yl)methanol (cas: 131747-45-0Product Details of 131747-45-0).

(4-Bromopyridin-2-yl)methanol (cas: 131747-45-0) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. 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.Product Details of 131747-45-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of a new donor-acceptor-donor functionalized alkoxyamine and its use in a reversibly supported catalytic hybrid system for ATRP of MMA was written by Ben Osman, Chirine;Geagea, Roland;Stoffelbach, Francois. And the article was included in Polymer in 2016.Quality Control of N-(6-Aminopyridin-2-yl)acetamide This article mentions the following:

A new 2,6-diaminopyridine-functionalized SG1-based alkoxyamine has been synthesized and used to prepare a well-defined functional copolymer (poly(styrene-co-2-vinyl-4,4-dimethyl-5-oxazolone) – poly(S-co-VDM)) by nitroxide mediated polymerization After post-modification of the copolymer with an atom transfer radical polymerization (ATRP) ligand (N,N-dipicolyl propylamine), the macroligand was successfully used for the homogeneous ATRP of Me methacrylate (MMA) leading to a controlled polymerization process. The ATRP of the same monomer was also investigated with the macroligand being reversibly immobilized via hydrogen bonding onto thymine-functionalized silica nanoparticles. The ATRP of MMA involving the supported-catalyst was also effective leading to a good control over the polymerization as observed with the free macroligand and producing polymers with very low dispersity (<1.2). After separation of the supported catalyst by centrifugation, the amount of residual catalyst in the resulting polymers was determined In the experiment, the researchers used many compounds, for example, N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3Quality Control of N-(6-Aminopyridin-2-yl)acetamide).

N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3) 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 derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Quality Control of N-(6-Aminopyridin-2-yl)acetamide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Stereochemical studies of heterocyclic compounds. XII. Crystal and molecular structure of 1-(2-amino-1-cyano-2-thioethenyl)pyridinium ylides was written by Fischer, E.;Knippel, M.;Wollin, K. M.;Kalman, A.;Argay, G.. And the article was included in Journal fuer Praktische Chemie (Leipzig) in 1983.Recommanded Product: 1-(Cyanomethyl)pyridin-1-ium chloride This article mentions the following:

E/Z Isomerization and hindered rotation of the pyridine ring were examined in I (R = Me, R¹ = Et). The former process had ΔG^* = 67 kJ/mol; the latter had ΔG^* = 46 kJ/mol. Crystallog. data, bond lengths, and bond angles were determined for I (R = H, R¹ = Ph); both E and Z isomers exists in the crystal. The C:C double bond is considerably longer than those in some olefins. 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 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.Recommanded Product: 1-(Cyanomethyl)pyridin-1-ium chloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Anti-Markovnikov hydro(amino)alkylation of vinylarenes via photoredox catalysis was written by Wu, Zhao;Gockel, Samuel N.;Hull, Kami L.. And the article was included in Nature Communications in 2021.Safety of Phenyl(pyridin-2-yl)methanone This article mentions the following:

Herein, the application of this powerful catalytic manifold to address the hydroalkylation and hydroaminoalkylation of electronically diverse vinylarenes e.g., 1,1-diphenylethylene was presented. This reaction allows for generalized alkene hydroalkylation leveraging common alkyl radical precursors, such as organotrifluoroborate salts and carboxylic acids. Furthermore, utilizing easily accessible α-silyl amine reagents or tertiary amines directly, secondary and tertiary amine moieties can be installed onto monoaryl and diaryl alkenes to access valuable products. Thus, under a unified system, both hydroalkylation and hydroaminoalkylation of alkenes are achieved. The substrate scope is evaluated through 57 examples, the synthetic utility of the method is demonstrated, and preliminary mechanistic insights are presented. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Safety of Phenyl(pyridin-2-yl)methanone).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) 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.Safety of Phenyl(pyridin-2-yl)methanone

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hydrogen Atom Transfer Driven Enantioselective Minisci Reaction of Alcohols was written by Colgan, Avene C.;Proctor, Rupert S. J.;Gibson, David C.;Chuentragool, Padon;Lahdenpera, Antti S. K.;Ermanis, Kristaps;Phipps, Robert J.. And the article was included in Angewandte Chemie, International Edition in 2022.Related Products of 644-98-4 This article mentions the following:

Catalytic enantioselective Minisci reactions have recently been developed but all instances so far utilize α-amino radical coupling partners. Authors report a substantial evolution of the enantioselective Minisci reaction that enables α-hydroxy radicals to be used, providing valuable enantioenriched secondary alc. products. This is achieved through the direct oxidative coupling of two C-H bonds on simple alc. and pyridine partners through a hydrogen atom transfer (HAT)-driven approach: a challenging process to achieve due to the numerous side reactions that can occur. This approach is highly regioselective as well as highly enantioselective. Dicumyl peroxide, upon irradiation with 390 nm light, serves as both HAT reagent and oxidant while selectivity is controlled by use of a chiral phosphoric acid catalyst. Computational and exptl. evidence provide mechanistic insight as to the origin of selectivity, revealing a stereodetermining deprotonation step distinct from the analogous reaction of amide-containing substrates. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Related Products of 644-98-4).

2-Isopropylpyridine (cas: 644-98-4) 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, 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. Related Products of 644-98-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of pyrrolopyridines (azaindoles) was written by Mahadevan, Indumathy;Rasmussen, Malcolm. And the article was included in Journal of Heterocyclic Chemistry in 1992.Recommanded Product: 3,6-Dimethyl-2-pyridinamine This article mentions the following:

Improved, convenient, and reliable routes for the synthesis of 4-, 5-, 6-, and 7-azaindole, 7-methyl-4-azaindole, 7-methyl-6-azaindole, and the hitherto unreported 7-amino-4-azaindole are described. The synthesis have been accomplished either by significant modifications to established procedures or by new methods which afford the compounds in improved yields. Thus, 2-chloro-4-methyl-3- and 5-nitropyridines condensed with Me₂NCH(OMe)₂ followed by hydrogenation to give 6-azaindole I in 75% yield. In the experiment, the researchers used many compounds, for example, 3,6-Dimethyl-2-pyridinamine (cas: 823-61-0Recommanded Product: 3,6-Dimethyl-2-pyridinamine).

3,6-Dimethyl-2-pyridinamine (cas: 823-61-0) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. 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.Recommanded Product: 3,6-Dimethyl-2-pyridinamine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rhoda-Electrocatalyzed C-H Methylation and Paired Electrocatalyzed C-H Ethylation and Propylation was written by Kucinski, Krzysztof;Simon, Hendrik;Ackermann, Lutz. And the article was included in Chemistry – A European Journal in 2022.Synthetic Route of C12H11N This article mentions the following:

Herein, the rhoda-electrocatalyzed C-H activation/alkylation of several N-heteroarenes was described. This catalytic approach was successfully applied to several arenes, including biol. relevant purines, diazepam, and amino acids. The versatile C-H alkylation featured water as a co-solvent and user-friendly trifluoroborates as alkylating agents. Finally, the rhoda-electrocatalysis with unsaturated organotrifluoroborates proceeded by paired electrolysis. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9Synthetic Route of C12H11N).

2-(m-Tolyl)pyridine (cas: 4373-61-9) 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 derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Synthetic Route of C12H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem