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Aromatic interactions can greatly affect the stability and interactions of a crystal. They are the strongest such interactions after hydrogen bonding. 301353-96-8, Name is P7C3, molecular formula is C21H18Br2N2O, belongs to benzoxazole compound. In a document, author is Safaei, Elham, Category: benzoxazole.

In the present work, the synthesis and characterization of a novel binuclear oxo-bridged iron(III) complex, (FeLAPIP)(2)O, where L-APIP is the deprotonated form of a tetradentateo-aminophenol-iminopyridine ligand, is described. The iron complex was characterized using different techniques including X-ray crystallography, infrared spectroscopy, UV-Vis, magnetic susceptibility and cyclic voltammetry. The X-ray structure analysis revealed that in the structure of the (FeLAPIP)(2)O complex, each iron(III) is coordinated in a distorted square pyramidal arrangement by an oxo group, three amine nitrogens and one oxygen atom of the o-aminophenolate ligand. The variable-temperature magnetic measurement exhibits strong antiferromagnetic coupling between two iron(III) centers. Cyclic voltammetry measurements showed two kinds of quasireversible events, suggesting the formation of a phenoxyl radical species in the region of the anodic peaks and a metal-centered redox (Fe-III/Fe-II) process at low potential. The catalytic activity of this Fe-complex was evaluated in coupling of 2-aminophenol and benzyl alcohols for the one-pot synthesis of benzoxazoles. The catalyst system showed high catalytic activity in this transformation and benzoxazole derivatives were obtained in good to excellent yields. tert-Butyl hydroperoxide was used as an oxidant and 1.2 mol% of catalyst was needed to accomplish the reaction in water as the green solvent.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. Recommanded Product: 301353-96-8, Name is P7C3, molecular formula is C21H18Br2N2O, molecular weight is 474.1884, category is benzoxazole. Now introduce a scientific discovery about this category.

A novel series of amide 1,3,4-oxadiazole linked benzoxazole derivatives 12a-12j are synthesized and their anticancer activity is screened against four human cancer cell lines including A549 (Lung cancer), MCF7 (Breast cancer), A375 (Melanoma cancer), HT-29 (Colon cancer) using Combretastatin-A4 as a control drug. Among the synthesized compounds, 12c and 12g demonstrate potent anticancer activity against HT-29 cancer cell line with IC50 values of 0.018 and 0.093 mu M, respectively, which is higher than the standard drug.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 301353-96-8, Name is P7C3, molecular formula is C21H18Br2N2O, belongs to benzoxazole compound. In a document, author is Imaizumi, Takamichi, Product Details of 301353-96-8.

A structural class of 2-aminobenzoxazole derivatives possessing biphenyltetrazole was discovered to be potent human ChemR23 inhibitors. We initially tried to improve the potency of compound 1, which was found through in-house screening using the human plasmacytoid dendritic cell (pDC)-like cell line CAL-1. The introduction of a chiral methyl moiety at a benzylic position in a center of compound 1 showed a large impact on the inhibitory activity against calcium signaling of ChemR23 induced by the natural ligand chemerin. As a result of further investigations at the benzylic position, (R)-isomer 6b was found to show a 30-fold increased potency over desmethyl compound 1. In addition, an extensive structure-activity relationship study on the benzoxazole moiety successfully led to a further increase in the potency. The antagonistic effect of the compounds was based on the induction of ChemR23 internalization. In addition, we observed that compound 31, which contained an amide moiety on benzoxazole, inhibited chemotaxis of CAL-1 cells induced by chemerin in vitro. These results suggest that our ChemR23 inhibitors are attractive compounds for the treatment of pDC-related autoimmune diseases, such as systemic lupus erythematosus and psoriasis.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Nano-magnetite supported N-heterocyclic carbene-copper complex with wingtip ferrocene has been prepared via multi-step procedure. The complex has been characterized by various analytical techniques such as fourier transform infrared (FT-IR), fourier transform Raman (FT-Raman), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), transmission electron microscopy (TEM) and vibrating sample magnetometer (VSM) analysis. The catalytic activity of the complex has been exploited in intramolecular O-arylation of o-iodoanilides under heterogeneous conditions. The complex could be successfully recycled up to twelve consecutive cycles.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 301353-96-8, Name is P7C3, molecular formula is C21H18Br2N2O, belongs to benzoxazole compound. In a document, author is Meisner, Quinton J., Recommanded Product: 301353-96-8.

Excitation-dependent multiple fluorescence of a 2-(2′-hydroxyphenyl)benzoxazole (HBO) derivative (1) is described. Compound 1 contains the structure of a charge-transfer (CT) 4-hydroxyphenylvinylenebipy fluorophore and an excited-state intramolecular proton transfer capable (ESIPT-capable) HBO component that intersect at the hydroxyphenyl moiety. Therefore, both CT and ESIPT pathways, while spatially mostly separated, are available to the excited state of 1. The ESIPT process offers two emissive isomeric structures (enol and keto) of 1 in the excited state, while the susceptibility of 1 to a base adds another option to tune the composite emission color. In addition to the ground-state acid-base equilibrium that can be harnessed for the control of emission color by excitation energy, compound 1 exhibits excitation-dependent emission that is attributed to solvent-affected ground-state structural changes. Therefore, depending on the medium and excitation wavelength, the emission from the enol, keto, and anion forms could occur simultaneously, which are in the color ranges of blue, green, and orange/red, respectively. A composite color of white with CIE coordinates of (0.33, 0.33) can be materialized through judicious choices of medium and excitation wavelength.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. As an important bridge between the micro, chemistry is one of the main methods and means for humans to understand and transform the material world. In an article, author is Erol, Meryem, once mentioned the application of 301353-96-8, Computed Properties of https://www.ambeed.com/products/301353-96-8.html, category is benzoxazole. Now introduce a scientific discovery about this category.

A series of some novel 2-(p-tert-butylphenyl)-5-(3-substituted-propionamido)benzoxazole derivatives have been designed, synthesized, evaluated for antimicrobial activity and have performed molecular docking studies against penicillin-binding protein 4 (PBP4) and active and allosteric site of PBP2a; were calculated some theoretical quantum parameters and absorption, distribution, metabolism and excretion (ADME) descriptors. B9 acted at minimum inhibitory concentration (MIC) = 8 mu g/mL against S. aureus, E. faecalis and their drug-resistant isolates and also formed with GLU145 (1.74 angstrom) and ILE144 (1.89 angstrom) two hydrogen bonds at allosteric site of PBP2a with Glide emodel score: -42.168. Delta E of compound B9 had moderate value of all compounds with 0.14742. Communicated by Ramaswamy H. Sarma

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. In heterogeneous catalysis, catalysts provide a surface to which reactants bind in a process of adsorption. The reactant in an enzyme-catalyzed reaction is called a substrate. 301353-96-8, Name is P7C3, molecular formula is , belongs to benzoxazole compound. In a document, author is Kennedy, Aaron D. W., HPLC of Formula: https://www.ambeed.com/products/301353-96-8.html.

Three visible-light responsive photoswitches are reported, azobis(1-methyl-benzimidazole) (1), azobis(benzoxazole) (2) and azobis(benzothiazole) (3). Photostationary distributions are obtained upon irradiation with visible light comprising approximately 80 % of the thermally unstable isomer, with thermal half-lives up to 8 min and are mostly invariant to solvent. On protonation, compound 1H(+) has absorption extending beyond 600 nm, allowing switching with yellow light, and a thermal half-life just under 5 minutes. The two isomers have significantly different pK(a) values, offering potential as a pH switch. The absorption spectra of 2 and 3 are insensitive to acid, although changes in the thermal half-life of 3 indicate more basic intermediates that significantly influence the thermal barrier to isomerization. These findings are supported by high-level ab initio calculations, which validate that protonation occurs on the ring nitrogen and that the Z isomer is more basic in all cases.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. Catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 301353-96-8, Name is P7C3, molecular formula is , belongs to benzoxazole compound. In a document, author is Safaei, Elham, Category: benzoxazole.

In the present work, the synthesis and characterization of a novel binuclear oxo-bridged iron(III) complex, (FeLAPIP)(2)O, where L-APIP is the deprotonated form of a tetradentateo-aminophenol-iminopyridine ligand, is described. The iron complex was characterized using different techniques including X-ray crystallography, infrared spectroscopy, UV-Vis, magnetic susceptibility and cyclic voltammetry. The X-ray structure analysis revealed that in the structure of the (FeLAPIP)(2)O complex, each iron(III) is coordinated in a distorted square pyramidal arrangement by an oxo group, three amine nitrogens and one oxygen atom of the o-aminophenolate ligand. The variable-temperature magnetic measurement exhibits strong antiferromagnetic coupling between two iron(III) centers. Cyclic voltammetry measurements showed two kinds of quasireversible events, suggesting the formation of a phenoxyl radical species in the region of the anodic peaks and a metal-centered redox (Fe-III/Fe-II) process at low potential. The catalytic activity of this Fe-complex was evaluated in coupling of 2-aminophenol and benzyl alcohols for the one-pot synthesis of benzoxazoles. The catalyst system showed high catalytic activity in this transformation and benzoxazole derivatives were obtained in good to excellent yields. tert-Butyl hydroperoxide was used as an oxidant and 1.2 mol% of catalyst was needed to accomplish the reaction in water as the green solvent.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 301353-96-8, Name is P7C3, molecular formula is , belongs to benzoxazole compound. In a document, author is Linh Ho Thuy Nguyen, Synthetic Route of 301353-96-8.

Zirconium- and hafnium-based metal-organic frameworks which constructed by 12-coordinated clusters and 6-coodinated clusters were shown to be highly effective heterogeneous catalysts for the ring opening acylation of benzoxazole to 2-arylbenzoxazole under solvent free conditions. Owning the wide opening spaces structures and inherent formate sites, MOFs based on 6-connected Zr-6/Hf-6 node were able to identify a significantly enhanced yield in Bronsted acid catalyzed reactions under conventional heating and microwave irradiation. In addition, the detailed mechanism of active sites of the ring opening acylation reaction was confirmed by employing of density functional theory (DFT) calculations. (C) 2019 Elsevier Inc. All rights reserved.

Synthetic Route of 301353-96-8, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 301353-96-8.

Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. In heterogeneous catalysis, catalysts provide a surface to which reactants bind in a process of adsorption. The reactant in an enzyme-catalyzed reaction is called a substrate. 301353-96-8, Name is P7C3, molecular formula is , belongs to benzoxazole compound. In a document, author is Legaspi, Christian M., Application In Synthesis of P7C3.

Molecules that undergo reverse intersystem crossing (RISC), which enables thermally activated delayed fluorescence, represent an important advance in the development of organic-based light-emitting diodes (OLEDs). The current study focuses on two blue-emitting RISC molecules employing carbazole as the donor and benzothiazole or benzoxazole derivative as the acceptor (BTZ/BOX-carbazole (CBZ)). Although the emission maxima of these compounds are deep blue (similar to 410 nm) in hydrocarbon solvents, their spectra broaden, red shift, and decrease in intensity with even a modest increase in solvent polarity because of their strong charge -transfer (CT) character. These effects are qualitatively predicted from time -dependent density functional theory calculations using the state -specific polarizable continuum model, though the emission spectral shifts are significantly overestimated. The desired blue emission peak of both compounds (similar to 425 nm) is recovered by rigidifying the environment, either in low-temperature glasses or in room-temperature polymer films, independent of local polarity. The polarity-induced emission red shift is therefore due to the solvent orientational polarizability. The effects of an applied electric field on the spectra (Stark effect) are used to quantify the CT character of the absorbing and emitting states. Significantly less field-induced emission quenching is observed in BOX-CBZ versus that in BTZ-CBZ. Minimizing this effect is important for the performance in the large (1-10 MV) fields present within OLED devices.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem