Tag: 100-200

Exploring short intramolecular interactions in alkylaromatic substrates was written by Baggioli, Alberto;Cavallotti, Carlo A.;Famulari, Antonino. And the article was included in Physical Chemistry Chemical Physics in 2016.Application of 27876-24-0 This article mentions the following:

From proteins and peptides to semiconducting polymers, aliphatic chains on aromatic groups are recurring motifs in macromols. from very diverse application fields. Fields in which mol. folding and packing determine the macroscopic phys. properties that make such advanced materials appealing in the first place. Within each macromol., the intrinsic structure of each unit defines how it interacts with its neighbors, ultimately opening up or denying certain backbone conformations. This eventually also determines how macromols. interact with each other. This account deals specifically with the conformational problem of many common alkylarom. units, examining the features of an intramol. interaction involving a side chain with as few as three methylene groups. A set of 23 model compounds featuring an intramol. interaction between an aliphatic X-H (X = C, N, O, and S) bond and an aromatic ring was considered. Quant. computational anal. was made possible, thanks to complete basis set extrapolated CCSD(T) calculations and NCI topol. anal., the latter of which revealed an elaborate network of dispersive and steric interactions leading to somewhat unintuitive and unexpected results, such as the higher energetic stability of certain twisted conformational isomers over those with extended side chains. Vicinal covalent effects from polarizing groups and various heteroatoms, along with the occurrence of non-dispersive phenomena, were also investigated. The conclusions drawn from the investigation include a comprehensive set of guidelines intended to aid in the prediction of the most stable conformation for this class of building blocks. Our findings affect a variety of different research fields, including the tailoring of functional materials for organic electronics and photovoltaics, with insights into a rational treatment of conformational disorder, and the study of protein- and peptide-folding preferences, putting an emphasis on peculiar interactions between the backbone and aromatic residues. In the experiment, the researchers used many compounds, for example, 4-Hexylpyridine (cas: 27876-24-0Application of 27876-24-0).

4-Hexylpyridine (cas: 27876-24-0) 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. 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 27876-24-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Factors Affecting the Sensitivity of Hydroxyl Group Content Analysis of Biocrude Products via Phosphitylation and ³¹P NMR Spectroscopy was written by Kusinski, Matthew;Gieleciak, Rafal;Hounjet, Lindsay J.;Chen, Jinwen. And the article was included in Energy & Fuels in 2021.Safety of Pyridinehydrochloride This article mentions the following:

A useful method for quantifying concentrations of various hydroxyl group containing mol. species in biocrudes involves chem. converting species into nonionizable, P-functionalized derivatives independently observed and quantified by phosphorus-31 NMR (³¹P NMR) spectroscopy. Full validation of this method requires improved understanding of its applicability to different biocrude matrixes. The limits of detection (LODs) and limits of quantitation (LOQs) for this method are herein determined for concentrations of hydroxyl group containing analytes, grouped by mol. class, within three different biocrude matrixes: a biocrude (BC) product, a fast pyrolysis (FP) product, and an artificial matrix (AM). Matrix water content, known to affect method sensitivity, varies from <1 to 18.31 wt %. Each matrix is used to prepare a series of samples spiked to varying concentrations with three hydroxyl group containing model compounds, which represent (aliphatic) alc., phenolic, and carboxylic acid analyte types. Samples are then phosphitylated with 2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane to enable ³¹P NMR spectroscopic determination of native hydroxyl analyte concentrations LODs and LOQs are determined for each analyte type and for each matrix. Anal. precision is affected by matrix concentrations of interfering analytes and water. Among the matrixes examined, AM, which contains no hydroxyl analytes and has the lowest water content, expectedly exhibits the lowest LODs and LOQs. Matrix LODs range from 0.04 to 0.14 mmol of OH/g, while their LOQs range from 0.10 to 0.41 mmol of OH/g, with both sets of values generally increasing in the order AM < BC < FP. In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7Safety of Pyridinehydrochloride).

Pyridinehydrochloride (cas: 628-13-7) 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. 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. Safety of Pyridinehydrochloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Suzuki Coupling Reactions in Ether-Functionalized Ionic Liquids: The Importance of Weakly Interacting Cations was written by Yang, Xue;Fei, Zhaofu;Geldbach, Tilmann J.;Phillips, Andrew D.;Hartinger, Christian G.;Li, Yongdan;Dyson, Paul J.. And the article was included in Organometallics in 2008.HPLC of Formula: 125652-55-3 This article mentions the following:

Imidazolium- and pyridinium-based ionic liquids with ether/polyether substituents have been evaluated as solvents for palladium-catalyzed Suzuki C-C coupling reactions. In general, reactions proceed more efficiently in these solvents compared to other ionic liquids, which is believed to be due to better stabilization of the palladium catalyst, involving weak interactions with the ether groups. The position and the number of oxygen atoms in the ether side chain strongly influence the outcome of the coupling reactions in the imidazolium-based ionic liquids, whereas for the pyridinium-based liquids no influence is observed Carbene derivatives, generated from the imidazolium-based ionic liquids, are believed to play a role by terminating the catalytic cycle, and representative species have been isolated and characterized from stoichiometric reactions. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3HPLC of Formula: 125652-55-3).

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Modular route to azaindanes was written by Huang, Qi;Zard, Samir Z.. And the article was included in Organic Letters in 2017.SDS of cas: 59718-84-2 This article mentions the following:

A convergent radical based route to azaindanes, e.g., I, is described, relying on the degenerative addition transfer of various substituted S-(pyridylmethyl)-O-Et dithiocarbonates (xanthates) to functional alkenes followed by radical cyclization onto the pyridine ring activated by protonation with trifluoroacetic acid. In one case, a richly decorated cyclohepta[b]pyridine could be assembled swiftly by allowing the first adduct to N-phenylmaleimide to undergo addition to N-allylphthalimide prior to cyclization. In the experiment, the researchers used many compounds, for example, Methyl 3-methylpicolinate (cas: 59718-84-2SDS of cas: 59718-84-2).

Methyl 3-methylpicolinate (cas: 59718-84-2) 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.SDS of cas: 59718-84-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Structure-odor relationships: a highly predictive tridimensional interaction model for the bell-pepper note was written by Rognon, C.;Chastrette, M.. And the article was included in European Journal of Medicinal Chemistry in 1994.Recommanded Product: 644-98-4 This article mentions the following:

Structure-odor relationships for the bell-pepper aroma were studied for a set of 160 compounds (58 active and 102 inactive), essentially pyrazine, pyridine and thiazole derivatives This study was based on the HBD (hydrogen bonding and dispersion) theory, which considers that interactions involving mols. and receptor sites are mainly hydrogen bonds and dispersion forces. A structural pattern for the bell-pepper note was first obtained by comparison of mol. models of different compounds Statistical evaluation showed that these structural elements alone do not make it possible to propose structure-odor relationships. Low-energy conformations of the mols. were computed by minimization of their steric energy using mol. mechanics software (MMP2). Comparisons of the likely conformations of a reference compound with those of inactive compounds and enantiomeric structures show that substituents of the bell-pepper compounds must meet precise geometrical requirements. Finally, from these structural and geometrical characteristics, a tridimensional structural pattern and an interaction model were proposed. This interaction model accounts for both the quality and intensity of the odor of the mols. studied. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Recommanded Product: 644-98-4).

2-Isopropylpyridine (cas: 644-98-4) 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 derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Recommanded Product: 644-98-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols was written by Kasatkina, Svetlana O.;Geyl, Kirill K.;Baykov, Sergey V.;Boyarskaya, Irina A.;Boyarskiy, Vadim P.. And the article was included in Organic & Biomolecular Chemistry in 2021.Category: pyridine-derivatives This article mentions the following:

A novel catalyst-free synthesis of N-pyridin-2-yl, N-quinolin-2-yl, and N-isoquinolin-1-yl carbamates utilizes easily accessible N-hetaryl ureas and alcs. The proposed environmentally friendly technique is suitable for the good-to-high yielding synthesis of a wide range of N-pyridin-2-yl or N-quinolin-2-yl substituted carbamates featuring electron-donating and electron-withdrawing groups in the azine rings and containing various primary, secondary, and even tertiary alkyl substituents at the oxygen atom (48-94%; 31 examples). The DFT calculation and exptl. study showed that the reaction proceeds through the intermediate formation of hetaryl isocyanates. The method can be applied to obtain N-isoquinolin-1-yl carbamates, although in lower yields, and Et benzo[h]quinolin-2-yl carbamate has also been successfully synthesized (68%). In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Category: pyridine-derivatives).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) 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.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

A convenient method for the regioselective synthesis of 4-alkyl(aryl)pyridines using pyridinium salts was written by Akiba, Kinya;Iseki, Yuji;Wada, Makoto. And the article was included in Bulletin of the Chemical Society of Japan in 1984.Application In Synthesis of 4-Hexylpyridine This article mentions the following:

RCu·BF₃ (R = Bu, hexyl, CH₂CH₂Ph, CHMeEt, Ph) reacted with 1-ethoxycarbonylpyridinium chloride at the 4-position with >99% regioselectivity to afford the corresponding 1,4-dihydropyridine derivatives in 81-94% yields. The dihydropyridines were oxidized by O to give 38-68% 4-alkyl(aryl)pyridines. Grignard reagents also reacted with 1-tert-butyldimethylsilylpyridinium triflate with >99% regioselectivity to afford the corresponding 1,4-dihydropyridines, which were easily oxidized by O to 4-substituted pyridines in 58-70% yields. In the experiment, the researchers used many compounds, for example, 4-Hexylpyridine (cas: 27876-24-0Application In Synthesis of 4-Hexylpyridine).

4-Hexylpyridine (cas: 27876-24-0) 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. 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.Application In Synthesis of 4-Hexylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

An improved synthesis of homoproline and derivatives was written by Shuman, Robert T.;Ornstein, Paul L.;Paschal, Jonathan W.;Gesellchen, Paul D.. And the article was included in Journal of Organic Chemistry in 1990.COA of Formula: C7H6N2 This article mentions the following:

Homoproline derivatives I (R = 3-Me, 4-Me, 6-Me, 4-Et, 4-OMe, 4-CMe₃) were prepared from the corresponding pyridines II in 4 steps. A key step was the treatment of N-oxides III (R = same) with Me₃SiCN and Me₂NCOCl in CH₂Cl₂ to give nitriles IV (R = same). 5,6-Benzohomoprolines V (R¹ = H, Me) were also prepared In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4COA of Formula: C7H6N2).

4-Methylpicolinonitrile (cas: 1620-76-4) 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. COA of Formula: C7H6N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Group 9 [Cp*M^III] complex-catalyzed C-H olefination of arenes in water at room temperature: a study on the catalytic activity was written by Zhang, Hailong;Yang, Zhongzhen;Liu, Jinxing;Yu, Xinling;Wang, Qiantao;Wu, Yong. And the article was included in Organic Chemistry Frontiers in 2019.Category: pyridine-derivatives This article mentions the following:

Herein, the discovery of group 9 [Cp*M^III] complexes to catalyze the olefination of arenes in water at ambient temperature is reported. The reaction afforded the desired products in moderate to good yields. Among the group 9 [Cp*M^III] complexes, [Cp*RhCl₂]₂ was found to be the most efficient catalyst in this reaction, with the highest catalytic activity, the best scalability, the best recyclability and the broadest substrate scope. Mechanistic investigation revealed that the C-H bond cleavage was most likely to be achieved through the concerted metalation-deprotonation (CMD). In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9Category: pyridine-derivatives).

2-(m-Tolyl)pyridine (cas: 4373-61-9) 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.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Introducing an α-Keto Ester Functional Group through Pt-Catalyzed Direct C-H Acylation with Ethyl Chlorooxoacetate was written by Javed, Erman;Guthrie, Jacob D.;Neu, Justin;Chirayath, George S.;Huo, Shouquan. And the article was included in ACS Omega in 2020.Related Products of 4783-68-0 This article mentions the following:

Platinum-catalyzed selective C-H acylation of 2-aryloxypyridines with Et chlorooxoacetate provided an efficient way of introducing an α-keto ester functional group. The reaction is oxidant-free, additive-free and more significantly free of any decarbonylative side reactions. The reaction tolerated a variety of substituents from strongly electron-donating to strongly electron-withdrawing groups. Double acylation was feasible for 2-phenoxypyridine and its derivatives with only one substituent at the para position. Although the reaction of 2-(2-methylphenoxy)pyridine with Et malonyl chloride did not produce the desired β-keto ester, the reaction with Et succinyl chloride proceeded smoothly to give the γ-keto ester. Et chlorooxoacetate was much more reactive than Et succinyl chloride in this Pt-catalyzed C-H acylation reaction. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Related Products of 4783-68-0).

2-Phenoxypyridine (cas: 4783-68-0) 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. Related Products of 4783-68-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem