Day: January 4, 2023

Optimal design of ionic liquids for thermal energy storage was written by Mehrkesh, Amirhossein;Karunanithi, Arunprakash T.. And the article was included in Computers & Chemical Engineering in 2016.Formula: C5H6ClN This article mentions the following:

Ionic liquids (ILs) are an emerging group of chems. which, with their tunable physicochem. properties, exhibit promise for use as novel materials in many applications. Thermal (e.g. solar) energy storage (TES) is one such area where they show potential to be thermally stable at high temperatures and store high amount of heat energy. A large number of ILs, through the combination of different cations and anions, can be potentially synthesized thereby presenting a good platform for design. However, since it is not possible to study this large number of compounds exptl. it is necessary to use computational methods to evaluate them. In this article, we present a computer-aided framework to design task-specific ionic liquids (ILs), using structure-property models and optimization methods. Thermal energy storage d. (capacity) was used as a measure of the ability of an IL to store thermal (solar) energy. An hydroxyl functionalized imidazolium-based IL, [3-hydroxy-imidazolium]⁺[BF4] ^–, was found to be the optimal candidate with highest thermal energy storage capacity along with appropriate m.p. and decomposition temperature In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7Formula: C5H6ClN).

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.Formula: C5H6ClN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

[M(L)₂(NCS)₂(H₂O)₂] (M = Mn^II or Co^II and L = 2,5-bis(4-pyridyl)-1,3,4-oxadiazole): three-dimensional extended networks built from hydrogen bonds and π-π stacking interaction-syntheses and crystal structures was written by Fang, Ya-Yin;Liu, He;Du, Miao;Guo, Ya-Mei;Bu, Xian-He. And the article was included in Journal of Molecular Structure in 2002.SDS of cas: 15420-02-7 This article mentions the following:

Two three-dimensional (3D) supramol. compounds [M(L)₂(NCS)₂(H₂O)₂] (M = Mn or Co; L = 2,5-bis(4-pyridyl)-1,3,4-oxadiazole) were synthesized and structurally determined by x-ray diffraction analyses. The crystal structures of both complexes reveal that they are isomorphic neutral mols. and the metal ions are at the center of symmetry. Each metal center is six-coordinated and the MN₄O₂ coordination sphere can be considered as an octahedron. The most striking feature of both complexes resides in the formation of a 3-dimensional network through the mutual effect of H bonds and π-π stacking. In the experiment, the researchers used many compounds, for example, 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7SDS of cas: 15420-02-7).

2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of âˆ?8.7 × 10âˆ? cm3·molâˆ?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·molâˆ? in the liquid phase and 140.4 kJ·molâˆ? in the gas phase. 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: 15420-02-7

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ruthenium(II)-Catalyzed C-H Acyloxylation of Phenols with Removable Auxiliary was written by Raghuvanshi, Keshav;Rauch, Karsten;Ackermann, Lutz. And the article was included in Chemistry – A European Journal in 2015.Product Details of 4783-68-0 This article mentions the following:

Intermol. C-H acyloxylations of phenols with removable directing groups were accomplished with a versatile ruthenium catalyst. Specifically, a cationic ruthenium(II) complex, formed in-situ, enabled the chemoselective C-H oxygenations of a broad range of substrates. The catalyst proved tolerant of synthetically valuable functional groups, and the substrate scope included both (hetero)aromatic and, the more challenging, aliphatic carboxylic acids. The proposed reaction mechanism involved a reversible C-H ruthenation and an oxidatively induced C-O-bond-forming reductive elimination. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Product Details of 4783-68-0).

2-Phenoxypyridine (cas: 4783-68-0) 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. 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.Product Details of 4783-68-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis, structure and luminescent properties of Cu(I)-cyanide frameworks based on bent dipyridyl-oxadiazole ligands was written by Wang, Hui;Li, Ming-Xing;Shao, Min;Wang, Zhao-Xi. And the article was included in Journal of Molecular Structure in 2008.Safety of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole This article mentions the following:

Hydrothermal reaction of CuCN with 2,5-bis(3-pyridyl)-1,3,4-oxadiazole (3-bpo) affords a wave-like infinite chain coordination polymer [Cu₂(CN)₂(3-bpo)]_n (1). Replacement of 3-bpo by its isomer 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (4-bpo) could yields polymer [Cu(CN)(4-bpo)]_n (2). The mol. structures of both complexes were determined using X-ray crystallog. In the complex 1, the bent 3-bpo ligand adopts bidentate chelating mode binds with the Cu(I)-cyanide chain to form 16-membered macrocyclic structure. The complex 2 exhibits a layered metal-organic framework, in which exo-bidentate 4-bpo ligand connects the Cu(I)-cyanide chains to form 2-D rectangle grid. Both of these Cu(I) complexes are thermal stable under 200 °C and release 3-bpo or 4-bpo ligand in 200-360 °C. Luminescent study reveals that 1 has green-light emission, while 2 has blue-light emission. In the experiment, the researchers used many compounds, for example, 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7Safety of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole).

2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7) 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. 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 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Anhydrous Tetramethylammonium Fluoride for Room-Temperature S_NAr Fluorination was written by Schimler, Sydonie D.;Ryan, Sarah J.;Bland, Douglas C.;Anderson, John E.;Sanford, Melanie S.. And the article was included in Journal of Organic Chemistry in 2015.Reference of 3939-12-6 This article mentions the following:

This paper describes the room-temperature S_NAr fluorination of aryl halides and nitroarenes using anhydrous tetramethylammonium fluoride (NMe₄F). This reagent effectively converts aryl-X (X = Cl, Br, I, NO₂, OTf) to aryl-F under mild conditions (often room temperature). Substrates for this reaction include electron-deficient heteroaromatics (22 examples) and arenes (5 examples). The relative rates of the reactions vary with X as well as with the structure of the substrate. However, in general, substrates bearing X = NO₂ or Br react fastest. In all cases examined, the yields of these reactions are comparable to or better than those obtained with CsF at elevated temperatures (i.e., more traditional halex fluorination conditions). The reactions also afford comparable yields on scales ranging from 100 mg to 10 g. A cost anal. is presented, which shows that fluorination with NMe₄F is generally more cost-effective than fluorination with CsF. In the experiment, the researchers used many compounds, for example, 6-Fluoronicotinonitrile (cas: 3939-12-6Reference of 3939-12-6).

6-Fluoronicotinonitrile (cas: 3939-12-6) 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. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Reference of 3939-12-6

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Effect of soil components on the surfactant-enhanced soil sorption of PAHs was written by Lu, Li;Zhu, Lizhong. And the article was included in Journal of Soils and Sediments in 2012.Electric Literature of C17H30BrN This article mentions the following:

The use of cationic surfactants was proposed to enhance the soil retention of hydrophobic organic contaminants (HOCs). However, due to the complexity of soil composition, the effect of cationic surfactants on the soil sorption of HOCs was limited to a qual. understanding. To gain further insight into the mechanism of the surfactant and predict its efficiency, a comparative study on the HOCs sorption capacities of the surfactants sorbed on pure typical soil components was studied. The sorption of cationic surfactant onto 5 pure typical soil components and the sorption of polycyclic aromatic hydrocarbons (PAHs) by the sorbed surfactant were conducted using batch equilibration methods. Humic acid (HA) and quartz were chosen as the representatives of organic matter and sand, resp. Montmorillonite, kaolinite, and illite were chosen as representatives of clay minerals. The cationic surfactant sorption capacities of different soil components were of great difference, and the PAH sorption capacities of the surfactant sorbed onto different components were also very different. Aside from the clay minerals, HA was a very active adsorbent for the cationic surfactant, and the sorption mechanism included both adsorption and partition-like processes. For each pure soil component and a certain PAH, a proximately piecewise function was found to describe the relation of surfactant-normalized PAH distribution coefficient K_sf and the sorption amount of the surfactant on solid Q_e-DDPB (R > 0.9). As a result, the sorption of PAHs by different soil components with certain surfactant loading can be estimated The effect of soil organic matter such as HA could not be ignored when predicting the soil sorption of cationic surfactants. The PAH partition capacities of the sorbed surfactant on HA or clay minerals were very different. However, for each pure soil component, the K _sf value was specifically related with the surfactant loading, which provided a possible means of predicting the efficiency of the cationic surfactant in enhancing the sorption of PAHs onto soils. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Electric Literature of C17H30BrN).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) 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. 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 C17H30BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Comparison of Mainstream Smoke Composition from CR20 Resin Filter and Empty-Cavity Filter Cigarettes by Headspace SPME Coupled with GC×GC TOFMS and Chemometric Analysis was written by Brokl, Michal;Morales, Valle;Bishop, Louise;Wright, Christopher G.;Liu, Chuan;Focant, Jean-Francois;Nicol, James;McAdam, Kevin G.. And the article was included in Beitraege zur Tabakforschung International in 2018.Application In Synthesis of 2-Isopropylpyridine This article mentions the following:

Summary : A previously established method based on headspace solidphase microextraction (HS-SPME) and comprehensive two-dimensional gas chromatog. (GC×GC) coupled to time-of-flight mass spectrometry (TOFMS) has been used to evaluate and compare the profiles of semi-volatile compounds present in mainstream tobacco smoke particulate matter trapped on glass fiber filters for two types of cigarettes differing only in filter design. In the first cigarette, the filter cavity contained approx. 60 mg of a weakly basic macroporous polystyrene resin crosslinked with divinyl benzene and with surface amine functionality (CR20), whereas in the second cigarette, it was empty. Relative quant. anal., chem. identification, and chem. grouping allowed the use of both parametric and non-parametric analyses to identify differences in the chem. composition of the smokes from these cigarettes. The anal. demonstrated that in addition to the selective partial removal of volatile carbonyls and HCN demonstrated previously, CR20 selectively, but incompletely removed 316 compounds from the particulate phase of cigarette smoke, mainly aryl and aromatic hydrocarbons as well as other more volatile species. In contrast, the relative proportion of amines, hydroxylated aromatic compounds and less volatile species was increased in the smoke from the cigarette containing CR20 in the filter. Our findings show that high resolution GC techniques combined with mass spectrometry and chemometric approaches are powerful tools for deconvoluting the complexity of combustion aerosols, as well as helping to identify changes in chem. composition resulting from modifications to cigarette designs. 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 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. 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 In Synthesis of 2-Isopropylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Solvent and substituent effects on fluorine-19 chemical shifts in some 5-substituted 2-fluoropyridines was written by Giam, Choo-Seng;Lyle, James L.. And the article was included in Journal of the Chemical Society [Section] B: Physical Organic in 1970.Name: 6-Fluoronicotinonitrile This article mentions the following:

The 19F NMR chem. shifts of several 5-substituted 2-fluoropyridines in 4 widely different solvents have been measured. The effects of solvents and substituents on the shifts paralleled those in the benzene series with certain modifications. In the experiment, the researchers used many compounds, for example, 6-Fluoronicotinonitrile (cas: 3939-12-6Name: 6-Fluoronicotinonitrile).

6-Fluoronicotinonitrile (cas: 3939-12-6) 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. 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.Name: 6-Fluoronicotinonitrile

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