Month: January 2023

High pressure structural investigations of 2,5-di(4-pyridyl)-1,3,4-oxadiazole-importance of strain studies for the description of intermolecular interactions was written by Orgzall, Ingo;Franco, Olga;Schulz, Burkhard. And the article was included in Journal of Physics: Condensed Matter in 2006.Application In Synthesis of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole This article mentions the following:

Results of a high pressure x-ray study of 2,5-di(4-pyridyl)-1,3,4-oxadiazole up to 2.5 GPa are presented and discussed. Parameters for the Murnaghan equation of state are derived. The bulk modulus amounts to K₀ = 4.6 ± 0.3 GPa and its pressure derivative to K’₀ = 7.4 ± 0.6. These values are comparable to values of other diphenyl-1,3,4-oxadiazoles. The anisotropy of the compression is analyzed using the strain tensor and discussed based on the anisotropy of the intermol. interactions. In the experiment, the researchers used many compounds, for example, 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7Application In Synthesis 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. 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 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole

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

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

Palladium-Catalyzed Electrochemical C-H Alkylation of Arenes was written by Yang, Qi-Liang;Li, Chuan-Zeng;Zhang, Liang-Wei;Li, Yu-Yan;Tong, Xiaofeng;Wu, Xin-Yan;Mei, Tian-Sheng. And the article was included in Organometallics in 2019.Synthetic Route of C12H11N This article mentions the following:

2-Arylpyridines were electrochem. ortho-alkylated by RBF₃K, the reaction being performed in undivided cell in aqueous solutions catalyzed by Pd(OAc)₂. Palladium-catalyzed electrochem. C-H functionalization reactions have emerged as attractive tools for organic synthesis. This process offers an alternative to conventional methods that require harsh chem. oxidants. However, this electrolysis requires divided cells to avoid catalyst deactivation by cathodic reduction Herein, we report the first example of palladium-catalyzed electrochem. C-H alkylation of arenes using undivided electrochem. cells in water, thereby providing a practical solution for the introduction of alkyl group into arenes. 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. 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.Synthetic Route of C12H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Two-dimensional Cu^II and first Pb^II coordination polymers based on a flexible 1,4-cyclohexanedicarboxylate ligand displaying different conformations and coordination modes was written by Du, Miao;Cai, Hua;Zhao, Xiao-Jun. And the article was included in Inorganica Chimica Acta in 2005.Synthetic Route of C12H8N4O This article mentions the following:

Two novel metal-organic hybrid coordination polymers {[Cu(bpo)(chdc)(H₂O)](H₂O)_0.5}_n (1) and [Pb(chdc)(H₂O)]_n (2) were synthesized under different conditions and structurally characterized by single-crystal x-ray diffraction technique, where H₂chdc refers to a flexible 1,4-cyclohexanedicarboxylic acid ligand and bpo is 2,5-bis(4-pyridyl)-1,3,4-oxadiazole. Complex 1 has a two-dimensional (2-D) grid-like [11.28 × 13.63 Ų] framework in which the Cu^II centers are extended via bidentate bridging ligands bpo and e,e-trans-chdc along two directions, exhibiting large porous cavities. Coordination polymer 2 represents the 1st Pb^II complex of H₂chdc in which the larger Pb^II centers are connected by e,a-cis-chdc anions to afford a 2-dimensional close-knit structure. In the experiment, the researchers used many compounds, for example, 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7Synthetic Route of C12H8N4O).

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. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Synthetic Route of C12H8N4O

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

An Efficient Method for the Synthesis of Alkylidenecyclobutanones by Gold-Catalyzed Oxidative Ring Enlargement of Vinylidenecyclopropanes was written by Yuan, Wei;Dong, Xiang;Wei, Yin;Shi, Min. And the article was included in Chemistry – A European Journal in 2012.Electric Literature of C7H9NO This article mentions the following:

Alkylidenecyclobutanones, e.g., I, are prepared from vinylidenecyclopropanes, e.g., II, by a gold-catalyzed oxidative ring expansion. (Triphenylphosphine)gold chloride (5 mol%) and silver hexafluoroantimonate (10 mol%) in the presence of 3,5-dibromopyridine N-oxide (2 equiv) effected the transformation. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Electric Literature of C7H9NO).

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. 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.Electric Literature of C7H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Studies on ketene and its derivatives. CXIII. Reaction of dichloroketene with aromatic amine N-oxides was written by Katagiri, Nobuya;Niwa, Ryuji;Furuya, Yoichi;Kato, Tetsuzo. And the article was included in Chemical & Pharmaceutical Bulletin in 1983.SDS of cas: 3718-65-8 This article mentions the following:

Treating pyridine 1-oxide (I) with Cl₂C:C:O gave 4 products, pyridines II (R = H, R¹ = CHCl₂; R = CHCl₂, R¹ = H; R² = H) and furopyridines III (R³ = OH, Cl). Reaction of Cl₂C:C:O with I, followed by treatment with MeOH, gave II (R = CHCl₂, CCl₂CO₂Me, R¹ = H; R = H, R¹ = CCl₂CO₂Me; R² = H). Similar reaction of Cl₂C:C:O with methylpyridine 1-oxides gave the corresponding 2-dichloromethyl- and 4-dichloromethylpyridines. However, reaction of Cl₂C:C:O with 2,6-dimethylpyridine 1-oxide, followed by treatment with MeOH gave II (R = CHCl₂; R¹ = R² = Me) and bis(pyridyl)dichloromethane IV. Cl₂C:C:O reacted with quinoline 1-oxide and isoquinoline 2-oxide to give the corresponding Cl₂CH derivatives In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8SDS of cas: 3718-65-8).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) 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 groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.SDS of cas: 3718-65-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols was written by Xu, Yinfeng;Liu, Ping;Li, Shun-Li;Sun, Peipei. And the article was included in Journal of Organic Chemistry in 2015.Synthetic Route of C11H9NO This article mentions the following:

A palladium-catalyzed direct sulfonylation of 2-aryloxypyridines on the ortho-position of the benzene ring was developed using 2-pyridyloxyl as the directing group and sulfonyl chlorides as sulfonylation reagents. The protocol was available for both electron-rich and electron-deficient substrates. The ortho-sulfonylated phenol was synthesized expediently from the sulfonylation product by the removal of the pyridyl group. 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. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. 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. Synthetic Route of C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Structure-Based Design and Synthesis of Potent, Ethylenediamine-Based, Mammalian Farnesyltransferase Inhibitors as Anticancer Agents was written by Fletcher, Steven;Keaney, Erin Pusateri;Cummings, Christopher G.;Blaskovich, Michelle A.;Hast, Michael A.;Glenn, Matthew P.;Chang, Sung-Youn;Bucher, Cynthia J.;Floyd, Ryan J.;Katt, William P.;Gelb, Michael H.;Van Voorhis, Wesley C.;Beese, Lorena S.;Sebti, Said M.;Hamilton, Andrew D.. And the article was included in Journal of Medicinal Chemistry in 2010.Formula: C6H3FN2 This article mentions the following:

A potent class of anticancer, human farnesyltransferase (hFTase) inhibitors has been identified by “piggy-backing” on potent, antimalarial inhibitors of Plasmodium falciparum farnesyltransferase (PfFTase). On the basis of a 4-fold substituted ethylenediamine scaffold, the inhibitors are structurally simple and readily derivatized, facilitating the extensive structure-activity relationship (SAR) study reported herein. The most potent inhibitor is compound I, which exhibited an in vitro hFTase IC₅₀ value of 25 nM and a whole cell H-Ras processing IC₅₀ value of 90 nM. Moreover, it is noteworthy that several of the inhibitors proved highly selective for hFTase (up to 333-fold) over the related prenyltransferase enzyme geranylgeranyltransferase-I (GGTase-I). A crystal structure of inhibitor II co-crystallized with farnesyl pyrophosphate (FPP) in the active site of rat FTase illustrates that the para-benzonitrile moiety of II is stabilized by a π-π stacking interaction with the Y361β residue, suggesting a structural explanation for the observed importance of this component of our inhibitors. In the experiment, the researchers used many compounds, for example, 6-Fluoronicotinonitrile (cas: 3939-12-6Formula: C6H3FN2).

6-Fluoronicotinonitrile (cas: 3939-12-6) 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.Formula: C6H3FN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mixed surfactant systems. Part 1: micelle formation from mixtures of polyoxyethylene t-octylphenol and cationic surfactants was written by Varade, D.;Mody, S.;Ankleshwaria, H.;Bahadur, P.. And the article was included in Tenside, Surfactants, Detergents in 2003.SDS of cas: 104-73-4 This article mentions the following:

The critical micelle concentrations (c.m.c.) for the binary combinations of a nonionic surfactant polyoxyethylene t-octylphenol (TX-100) with nine cationic surfactants (varying in mol. characteristics) at different mole fractions in aqueous solutions, obtained by surface tension measurements, were analyzed using Rubingh’s regular solution theory. The values of interaction parameter (β) show marked interaction for cationic-nonionic systems. The cloud point of TX-100 increased remarkably in presence of trace amount of cationic surfactants. The magnitude of interaction and the increase in the cloud point of TX-100 solution is discussed in terms of nonpolar tail, polar head group size, and the size/polarizability of counter ions. Viscosity and conductance results support the interaction between cationic surfactants and TX-100 in water. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4SDS of cas: 104-73-4).

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem