Day: September 10, 2021

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. 540-37-4, Name is 4-Iodoaniline, molecular formula is C6H6IN, belongs to benzoxazole compound. In a document, author is Sireesha, Reddymasu, Synthetic Route of 540-37-4.

A new series of benzimidazole/benzoxazole linked beta-carbolines (9a-j) were rationally designed and synthesized by combining two different anti-cancer fragments. The new hybrid beta-carbolines are subjected to anti-cancer screening against four different human cancer cell lines such as MCF-7 (breast), A549 (lung), Colo-205 (colon) and A2780 (ovarian) by using standard MIT assay. These hybrid beta-carbolines exhibited significant and high fold anti-cancer activity against MCF-7 cell lines than reference standard. They are also proved to be effective against A549 and Colo-205 cell lines. Further, compound 9b, 9c from benzimidazole and 9i from benzoxazole series have exhibited maximum anti-cancer activity among these hybrid beta-carbolines. Later, all of the hybrid beta-carbolines were subjected to molecular interaction analysis against a few selected kinase targets such as cdc-like kinase (CLK-1 to CLK-4), epidermal growth factor reductase (EGFR) kinase, protein (ATR) kinase along with APC-Asef interface. The violin plot of binding energies of 9a-9j have suggested them as good kinase binders. Result interpretation suggested hybrid beta-carbolines as promising CLK binders. The anti-cancer data of new hybrid beta-carbolines against MCF-7 cell lines are in agreement with parent beta-carboline skeleton. (C) 2020 Elsevier B.V. All rights reserved.

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

Chemistry built the modern world, from the materials that make up the everyday objects around us, the batteries in our devices and cleaning products that help to maintain sanitation. 583-55-1, Name is 1-Bromo-2-iodobenzene, molecular formula is C6H4BrI, belongs to benzoxazole compound. In a document, author is Sun, Jian, SDS of cas: 583-55-1.

In this work, a series of novel D-pi-A structure coumarin-benzoxazole derivatives have been synthesized. The third-order NLO properties of the coumarin derivatives in DMSO are investigated by Z-scan measurement, and the photophysical properties of the compounds are studied through experimental and theoretical calculation methods. The results showed that the introducing specific functional groups at multiple active sites of coumarin reduced the pi-pi intermolecular stacking, while the formation of push-pull structure decreased E-gap of entire molecule. The excellent third-order NLO responses based on chromophore 4c with maximum nonlinear absorptive coefficients is 50.64 x 10(-13) esu and the largest second-order NLO hyperpolarizability is 7.12 x 10(-30) esu. Experimental results have also been confirmed through DFT, TDDFT and ZINDO calculations. Our results indicate that the coumarin fluorescent dyes are promising candidate materials for NLO applications.

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

Welcome to the Chemical Union of benzoxazole, to introduce a new compound: 540-36-3, Name is 1,4-Difluorobenzene, molecular formula is C6H4F2, belongs to benzoxazole compound. In a document, author is Kumar, Vipin, Category: benzoxazole.

A facile transformation of 1-formyl beta-carboline into fluorescent beta-carboline C-1 tethered benzazole derivatives is described under the catalysis of ZnO nanoparticles. The reaction proceeded with the reaction of 1-formyl beta-carboline and substituted o-diaminobenzene/2-aminobenzenethiol/2-aminophenol, which results in formation of a Schiff base, followed by an intramolecular cylization reaction to generate beta-carboline linked benzimidazole, benzothiazole and benzoxazole derivatives. This appraoch displayed a wide substrate scope and high regioselectivity to yield the desired products in moderate to good yields. The photophysical properties of the synthesized derivatives were also evaluated and they exhibited excellent fluorescence properties. Among these beta-carboline substituted azoles, the benzothiazole derivative displayed the maximum quantum yield (phi(F) up to 28%).

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

Solid fluorescence plays an important role in optoelectronic devices. In this paper, 9,10-bis(6-dimethylamino benzoxazole styryl)-anthracene (1) was synthesized. 1 displayed a strong emission in solid state (micro crystalline state, amorphous solid state and polymeric thin film) resulted from aggregation-induced emission mechanism, and a large absolute fluorescence quantum yield (phi r = 0.65) was obtained. 1 also exhibited up conversion emission in solid state and a strong yellow emission was observed upon excitation with 800-1064 nm, the quadratic dependence of the fluorescence on the excitation laser intensity confirmed that the up-conversion emission resulted from two-photon process.

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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. 112704-79-7, Name is 4-Bromo-2-fluorobenzoic acid, molecular formula is C7H4BrFO2, belongs to benzoxazole compound. In a document, author is Chae, Yeongseok, Related Products of 112704-79-7.

In operando observation of reaction intermediates is crucial for unraveling reaction mechanisms. To address the sensitivity limitations of commercial ReactIR, a flow cell was integrated with a Fourier transform infrared (FTIR) spectrometer yielding a flow FTIR device coupled with an NMR spectrometer for the elucidation of reaction mechanisms. The former device detects the low-intensity IR peaks of reaction intermediates by adjusting the path length of the FTIR sample cell, whereas the flow NMR allows the quantitative analysis of reaction species, thus offsetting the limitations of IR spectroscopy resulting from different absorption coefficients of the normal modes. Using the flow NMR and FTIR device, the controversial mechanism of benzoxazole synthesis was conclusively determined by spectroscopic evaluation of the reaction intermediates. This system enabled the accurate acquisition of previously elusive kinetic data, such as the reaction time and rate-determining step. The implementation of reaction flow cells into NMR and FTIR systems could be widely applied to study various reaction mechanisms, including dangerous and harsh reactions, thus avoiding contact with potentially harmful reaction intermediates.

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

Aromatic interactions can greatly affect the stability and interactions of a crystal. They are the strongest such interactions after hydrogen bonding. 530-62-1, Name is Di(1H-imidazol-1-yl)methanone, molecular formula is C7H6N4O, belongs to benzoxazole compound. In a document, author is Li, Xianglong, Formula: https://www.ambeed.com/products/530-62-1.html.

Using ionic liquids (ILs) as the reaction solvent for the synthesis of prepolymer polyamide of poly(p-phenylene benzoxazole) (PBO) was investigated. The optimum condition of prepolymer preparation was determined in ILs. A series of 1,3-dialkylimidazolium ILs were used to be the reaction media of the polycondensation. The relationship between the molecular weight of prepolymer and the structure of ILs was analysed by changing the structure of the cation and species of anion of ILs. In order to prove the feasibility of the transformation, the prepolymer was used to prepare PBO in polyphosphoric acid media, and the conversion process was analyzed. The spinnability of the PBO solution was explored by the preparation of PBO fibers. The basic mechanical properties of PBO single fiber were tested. In a word, using 1,3-dialkylimidazolium ILs as the reaction solvents was feasible for the synthesis of high-molecular-weight PBO prepolymer, which could be a promising PBO preparation method.

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

In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. In this document, Impact of benzannulation on ESIPT in 2-(2 ‘-hydroxyphenyl)-oxazoles: a unified perspective in terms of excited-state aromaticity and intramolecular charge transfer. Name: 4-Diethylaminobenzaldehyde.

A facile, efficient, and eco-friendly strategy to access benzoxazole heterocyclic products has been accomplished through oxidation of catechols followed by condensation/cyclization/aromatization sequences. This process is catalyzed by nanostructured iron(III)-porphyrin complex to form desired benzoxazole derivatives at room temperature under air condition. The procedure is widely applicable to diverse amines, and can provide the heterocyclic products in a scalable fashion, as well. One of the most significant types of oxidizing agents in nature is the iron-porphyrin complexes (0.1 mol-%), existing in the structure of hemoglobin. They have benefits such as low toxicity and high oxidation potential for many substrates.

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

Chemistry built the modern world, from the materials that make up the everyday objects around us, the batteries in our devices and cleaning products that help to maintain sanitation. 2377-81-3, Name is Tetrafluoroisophthalonitrile, molecular formula is C8F4N2, belongs to benzoxazole compound. In a document, author is Han, Yang, Reference of 2377-81-3.

Membrane and membrane process have been considered as one of the most promising technologies for mitigating CO2 emissions from the use of fossil fuels. In this paper, recent advances in polymeric membranes for CO2 capture are reviewed in terms of material design and membrane formation. The selected polymeric materials are grouped based on their gas transport mechanisms, i.e., solution-diffusion and facilitated transport. The discussion of solution-diffusion membranes encompasses the recent efforts to shift the upper bound barrier, including the enhanced CO2 solubility in several rubbery polymers and novel methods to construct shape-persisting macromolecules with unprecedented sieving ability. The carrier-bearing facilitated transport membranes are categorized based on the specific CO2-carrier chemistry. Finally, opportunities and challenges in practical applications are also discussed, including post-combustion carbon capture (CO2/N-2), hydrogen purification (CO2/H-2), and natural gas sweetening (CO2/CH4). (C) 2018 The Chemical Industry and Engineering Society of China, and Chemical Industry Press. All rights reserved.

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

Hydroxyphenyl-azoles are among the most popular ESIPT (Excited State Intramolecular Proton Transfer) scaffolds and as such, they have been thoroughly studied. Nevertheless, some aspects regarding the interplay between the emissive properties of these fluorophores and the size of their pi-conjugated framework remain controversial. Previous studies have demonstrated that benzannulation of 2 ‘-hydroxyphenyl-oxazole at the phenol group of the molecule can lead to either red- or blue-shifted fluorescence emission, depending on the site where it occurs. In this report, benzannulation at the heterocyclic unit (the oxazole site) is analysed in order to get the whole picture. The extension of pi-conjugation does not significantly affect the ESIPT emission wavelength, but it leads instead to higher energy barriers for proton transfer in the first excited singlet state, as a consequence of dramatic changes in the charge transfer character of excitation caused by successive benzannulation. Theoretical calculations revealed an interesting connection between intramolecular charge transfer and excited-state aromaticity in the S-1 state. The theoretical approach presented herein allows the behaviour of hydroxyphenyl-oxazoles in the excited state to be rationalized and, more generally, a deeper understanding of the factors governing the ESIPT process to be obtained, a crucial point in the design of new and efficient fluorophores.

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

New discoveries in chemical research and development in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis.22439-61-8, Name is 2-Bromodibenzo[b,d]thiophene, molecular formula is C12H7BrS. In an article, author is Sever, Belgin,once mentioned of 22439-61-8, SDS of cas: 22439-61-8.

In an attempt to identify potential anticancer agents for non-small-cell lung cancer (NSCLC) targeting sirtuin 1 (SIRT1), the synthesis of a new series of benzoxazoles (3a – i) was carried out through a facile and versatile synthetic route. The compounds were evaluated for their cytotoxic effects on A549 human lung adenocarcinoma and NIH/3T3 mouse embryonic fibroblast cells using the MTT assay. 2-[(5-Nitro-1H-benzimidazol-2-yl)thio]-N-(2-methylbenzoxazol-5-yl)acetamide (3e) and 2-[(5-chloro-1H-benzimidazol-2-yl)thio]-N-(2-methylbenzoxazol-5-yl)acetamide (3g) were the most potent and selective anticancer agents in this series against the A549 cell line, with IC(50)values of 46.66 +/- 11.54 and 55.00 +/- 5.00 mu M, respectively. The flow cytometry-based apoptosis detection assay was performed to determine their effects on apoptosis in A549 cells. Both compounds induced apoptosis in a dose-dependent manner. The effects of compounds3eand3gon SIRT1 activity were determined. On the basis of in vitro studies, it was observed that compound3gcaused a significant decrease in SIRT1 levels in a dose-dependent manner, whereas compound3eincreased the SIRT1 levels. According to molecular docking studies, the substantial alteration in the type of action could be attributed to the difference between the interactions of compounds3eand3gwith the same residues in the active site of SIRT1 (PDB code: 4IG9). On the basis of in silico ADME (absorption, distribution, metabolism, and excretion) studies, these compounds are predicted to possess favorable ADME profiles. According to the in vitro and in silico studies, compounds3eand3g, small-molecule SIRT1 modulators, were identified as potential orally bioavailable anticancer agents for the targeted therapy of NSCLC.

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