Tag: 200-300

Synthesis and crystal structure of [CuL_0.5(Ac)₂]_n·0.5nCHCl₃ (L = 2,5-bis(4-pyridyl)-1,3,4-oxadiazole) was written by Liu, He;Zhong, Bo-Hua;Liu, Li-Ping;Han, Shi-Tian. And the article was included in Journal of Chemical Crystallography in 2004.Safety of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole This article mentions the following:

A 1-dimensional complex [CuL_0.5(Ac)₂]_n·0.5nCHCl₃ (L = 2,5-bis(4-pyridyl)-1,3,4-oxadiazole) was synthesized and structurally characterized by x-ray diffraction: Monoclinic, space group C2/c with a 27.217(3), b 13.0383(11), c 8.5671(9) Å, β 103.215(3)°, Z = 8. The crystal structure of the complex reveals that the familiar lantern-type structure that is characteristic of dimetal tetracarboxylates of Cu^II ions, and the binuclear units were bridged by the angular ligands to form a 1-dimensional zigzag chain coordination polymer. Every metal center is present in a distorted square-pyramidal coordination environment, consisting of coordination with one N atom of the ligand in the axial position and four O atoms of CH₃COO^– anions in equatorial positions. The Cu^II···Cu^II distance is 2.6060(9) Å. The title complex resides in the formation of a 3-dimensional network through π-π stacking interactions. 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. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Safety of 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

(1-Butyl-4-methyl-pyridinium)[Cu(SCN)₂]: A Coordination Polymer and Ionic Liquid was written by Spielberg, Eike T.;Edengeiser, Eugen;Mallick, Bert;Havenith, Martina;Mudring, Anja-Verena. And the article was included in Chemistry – A European Journal in 2014.Application of 65350-59-6 This article mentions the following:

The compound (C₄C₁py)[Cu(SCN)₂] (1), (C₄C₁py = 1-Butyl-4-methyl-pyridinium), which can be obtained from CuSCN and the ionic liquid (C₄C₁py)(SCN), turns out to be a new organic-inorganic hybrid material as it qualifies both, as a coordination polymer and an ionic liquid It features linked [Cu(SCN)₂]^– units, in which the thiocyanates bridge the copper ions in a μ_1,3-fashion. The resulting one-dimensional chains run along the a axis, separated by the C₄C₁py counterions. Powder x-ray diffraction not only confirms the single-crystal X-ray structure solution but proves the reformation of the coordination polymer from an isotropic melt. However, the materials shows a complex thermal behavior often encountered for ionic liquids such as a strong tendency to form a supercooled melt. At a relatively high cooling rate, glass formation is observed When heating this melt in DSC and temperature-dependent polarizing optical microscopy (POM), studies reveal the existence of a less thermodynamically stable crystalline polymorph. Raman measurements conducted at 10 and 100° point towards the formation of polyanionic chain fragments in the melt. Solid-state UV/visible spectroscopy shows a broad absorption band around 18,870 cm^-1 (530 nm) and another strong one <20,000 cm^-1 (<500 nm). The latter is attributed to the d(Cu^I)→π*(SCN)-MLCT (metal-to-ligand charge transfer) transition within the coordination polymer yielding an energy gap of 2.4 eV. At room temperature and upon irradiation with UV light, the material shows a weak fluorescence band at 15,870 cm^-1 (630 nm) with a quantum efficiency of 0.90(2)% and a lifetime of 131(2) ns. Upon lowering the temperature, the luminescence intensity strongly increases. Simultaneously, the band around 450 nm in the excitation spectrum decreases. In the experiment, the researchers used many compounds, for example, 1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6Application of 65350-59-6).

1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6) 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 of 65350-59-6

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

[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

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

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

Synthesis and fungicidal activity of novel oxathiapiprolin derivatives was written by Ding, Chengrong;Pan, Yayun;Yin, Xu;Tan, Chengxia;Wang, Xuedong. And the article was included in Youji Huaxue in 2019.Computed Properties of C11H20N2O2S This article mentions the following:

In order to explore the structure of lead compounds with biol. activities, using oxathiapiprolin as a template, sixteen oxathiapiprolin derivatives I [R = Me, cyclopropyl, 2,6-di-ClC₆H₃; R¹ = H, Ph, 2-FC₆H₄, etc.] were designed and synthesized to study the influences of substituent to the fungicidal activity. All the structures I were confirmed by ¹H NMR, ¹³C NMR and HRMS. Preliminary bioassay showed that the target compounds I generally had fungicidal activitives in vitro at a concentration of 100μg/mL, the fungicidal activities of compounds I [R = cyclopropyl; R¹ = 2-FC₆H₄] against F. graminearum was 60%, the fungicidal activities of six target compounds against D. mali were 70%, the fungicidal activities of four target compounds against Phytophthora infestans were 50%, and the fungicidal activities of I [R = Me; R¹ = 3-MeC₆H₄] against B. cinerea was 75%. In addtion, the fungicidal activities of the target compounds aganist Diplocarpon mali and Botrytis cinerea at 100μg/mL were higher to azoxystrobin at 50μg/mL. In the experiment, the researchers used many compounds, for example, tert-Butyl 4-carbamothioylpiperidine-1-carboxylate (cas: 214834-18-1Computed Properties of C11H20N2O2S).

tert-Butyl 4-carbamothioylpiperidine-1-carboxylate (cas: 214834-18-1) 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.Computed Properties of C11H20N2O2S

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

π-Conjugated N-heterocyclic compounds: correlation of computational and electrochemical data was written by Al-Anber, M.;Vatsadze, S.;Holze, R.;Lang, H.;Thiel, W. R.. And the article was included in Dalton Transactions in 2005.Category: pyridine-derivatives This article mentions the following:

Electrochem. reduction potentials of a broad selection of nitrogen-containing mols. suitable as bridging (dipodal and tripodal) ligands in coordination and organometallic chem. are reported and compared with results of semiempirical calculations Trends of electrode potentials observed exptl. agree with resp. calculated data, deviations can be explained by invoking peculiarities of the involved MOs and ligand-electrode surface interactions. In the experiment, the researchers used many compounds, for example, 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7Category: pyridine-derivatives).

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. 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.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Diarylthiazole: an antimycobacterial scaffold potentially targeting PrrB-PrrA two-component system was written by Bellale, Eknath;Naik, Maruti;Varun, V. B.;Ambady, Anisha;Narayan, Ashwini;Ravishankar, Sudha;Ramachandran, Vasanthi;Kaur, Parvinder;McLaughlin, Robert;Whiteaker, James;Morayya, Sapna;Guptha, Supreeth;Sharma, Sreevalli;Raichurkar, Anandkumar;Awasthy, Disha;Achar, Vijayshree;Vachaspati, Prakash;Bandodkar, Balachandra;Panda, Manoranjan;Chatterji, Monalisa. And the article was included in Journal of Medicinal Chemistry in 2014.Reference of 214834-18-1 This article mentions the following:

Diarylthiazole (DAT), a hit from diversity screening, was found to have potent antimycobacterial activity against Mycobacterium tuberculosis (Mtb). In a systematic medicinal chem. exploration, the authors demonstrated chem. opportunities to optimize the potency and physicochem. properties. The effort led to more than 10 compounds with submicromolar MICs and desirable physicochem. properties. The potent antimycobacterial activity, in conjunction with low mol. weight, made the series an attractive lead (antibacterial ligand efficiency (ALE) >0.4). The series exhibited excellent bactericidal activity and was active against drug-sensitive and resistant Mtb. Mutational anal. showed that mutations in prrB impart resistance to DAT compounds but not to reference drugs tested. The sensor kinase PrrB belongs to the PrrBA two component system and is potentially the target for DAT. PrrBA is a conserved, essential regulatory mechanism in Mtb and has been shown to have a role in virulence and metabolic adaptation to stress. Hence, DATs provide an opportunity to understand a completely new target system for antimycobacterial drug discovery. In the experiment, the researchers used many compounds, for example, tert-Butyl 4-carbamothioylpiperidine-1-carboxylate (cas: 214834-18-1Reference of 214834-18-1).

tert-Butyl 4-carbamothioylpiperidine-1-carboxylate (cas: 214834-18-1) 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). Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Reference of 214834-18-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Iron oxide modified with pyridyl-triazole ligand for stabilization of gold nanoparticles: An efficient heterogeneous catalyst for A³ coupling reaction in water was written by Gholinejad, Mohammad;Zareh, Fatemeh;Najera, Carmen. And the article was included in Applied Organometallic Chemistry in 2018.Related Products of 72996-65-7 This article mentions the following:

Fe₃O₄ nanoparticles were modified with pyridyl-triazole ligand and the new magnetic solid was applied for the stabilization of very small and uniform gold nanoparticles. The resulting magnetic material, Fe₃O₄@PT@Au, was characterized using various methods. These gold nanoparticles on a magnetic support were applied as an efficient heterogeneous catalyst for the three-component reaction of amines, aldehydes and alkynes (A³ coupling) in neat water with 0.01 mol% Au loading. Using magnetic separation, this catalyst was recycled for seven consecutive runs with very small decrease in activity. Characterization of the reused catalyst did not show appreciable structural modification. In the experiment, the researchers used many compounds, for example, 2-(2-Bromoethyl)pyridine hydrobromide (cas: 72996-65-7Related Products of 72996-65-7).

2-(2-Bromoethyl)pyridine hydrobromide (cas: 72996-65-7) 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 groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Related Products of 72996-65-7

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem