Tag: M.W:100-200

2892-51-5, molecular formula is C4H2O4, molweight is 114.06(g/mol), MDLNum is MFCD00001334. In this document, Synthesis and biological evaluation of triazole and isoxazole-tagged benzothiazole/benzoxazole derivatives as potent cytotoxic agents. Synthetic Route of 2892-51-5.

Cancer is a major health problem and the most upsetting disease in humans, leading to death in both developed and developing countries. Proper treatment of the disease is still a challenge. Chemotherapy is considered one of the regimens to cure this disease. In this study, a series of 1,2,3-triazole and isoxazole-linked benzothiazole/benzoxazole derivatives were synthesized and evaluated for their anticancer activity against human cancer cell lines, such as HeLa (cervical), and A549 (lung) cell lines, with HEK-293 cell line used as a control. Among them, conjugates 8a, 8f, 13g, 13h and 13j displayed significant cytotoxic activity against human cancer cell lines. Furthermore, these active conjugates induced an increase in the expression of key apoptotic genes that are involved in the intrinsic pathway of apoptosis such as caspase-9, caspase-3, BAX and cytochrome-c. This study may provide possible anti-cancer therapeutics against HeLa and lung cancer cells.

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When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. 392-56-3, Name is Hexafluorobenzene, molecular formula is C6F6, belongs to benzoxazole compound. In a document, author is Wang, Lifei, Product Details of 392-56-3

Given the paramount importance of excited-state relaxation in the photochemical process, excited-state hydrogen bonding interactions and excited-state intramolecular proton transfer (ESIPT) are always hot topics. In this work, we theoretically explore the excited-state dynamical behaviors for a novel 2-(3,5-dichloro-2,6-dihydroxy-phenyl)-benzoxazole-6-carboxylicacid (DDPBC) system. As two intramolecular hydrogen bonds (O1-H2MIDLINE HORIZONTAL ELLIPSISN3 and O4-H5MIDLINE HORIZONTAL ELLIPSISO6) exist in the DDPBC structure, we first check if the double proton transfer form cannot be formed in the S1 state. Then, we explore the changes of geometrical parameters involved in hydrogen bonds, based on which we confirm that the dual intramolecular hydrogen bonds are strengthened on photo-excitation. The O1-H2MIDLINE HORIZONTAL ELLIPSISN3 hydrogen bond particularly plays a more important role in excited state. When it comes to the photo-induced excitation, we find charge transfer and electronic density redistribution around O1-H2 and N3 atom moieties. We verify the ESIPT tendency arising from the O1-H2MIDLINE HORIZONTAL ELLIPSISN3 hydrogen bond. In the analysis of the potential energy curves, along with O1-H2MIDLINE HORIZONTAL ELLIPSISN3 and O4-H5MIDLINE HORIZONTAL ELLIPSISO6, we demonstrate that the ESIPT reaction should occur along with O1-H2MIDLINE HORIZONTAL ELLIPSISN3 rather than O4-H5MIDLINE HORIZONTAL ELLIPSISO6. This work not only clarifies the specific ESIPT mechanism for DDPBC system but also paves the way for further novel applications based on DDPBC structure in the future.

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Benzoxazole – Wikipedia,
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Welcome to the Chemical Union of benzoxazole, to introduce a new compound: 1895-39-2, Name is Sodium 2-chloro-2,2-difluoroacetate, molecular formula is C2ClF2NaO2, belongs to benzoxazole compound. In a document, author is Thanh Binh Nguyen, Application In Synthesis of Sodium 2-chloro-2,2-difluoroacetate.

Elemental sulfur in the presence of a catalytic amount of FeCl2 center dot 4H(2)O was found to be highly efficient for the promotion of decyanative redox condensation reactions of o-nitrophenols with arylacetonitriles, to give a wide range of 2-arylbenzoxazoles. The utility of elemental sulfur was highlighted by its role as cyanide scavenger and external reducing agent.

The π-electrons of these planar compounds are free to cycle around the circular arrangements of atoms found in the aromatic moieties. This stems from the resonance found in planar ring systems, like benzene, and C2ClF2NaO2. Application In Synthesis of Sodium 2-chloro-2,2-difluoroacetate.

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Benzoxazole – Wikipedia,
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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.2343-89-7, Name is Methyl 2-fluoroacrylate, molecular formula is C4H5FO2. In an article, author is Malunavar, Shruti S.,once mentioned of 2343-89-7, Reference of 2343-89-7.

A two-step protocol involving Pd-catalyzed cyclization of readily accessible p-bromophenyl-aldimines to 2-bromophenyl-benzoxazole/benzothiazole in [BMIM][PF6] or [BMIM][BF4] as solvent, followed by the Suzuki, Heck, and Sonogashira cross-coupling reactions catalyzed by Pd or Ni is described that generates libraries of diversely substituted 2-aryl-/heteroaryl-benzoxazoles/benzothiazoles in respectable isolated yields under mild reaction conditions. The feasibility to perform the two-steps in sequence in one-pot starting from the aldimines is also demonstrated and the potential for recycling/reuse of the IL solvent is also shown. (C) 2019 Elsevier Ltd. All rights reserved.

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1895-39-2, molecular formula is C2ClF2NaO2, molweight is 152.4598(g/mol), MDLNum is MFCD00064771. 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. Recommanded Product: 1895-39-2.

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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Benzoxazole – Wikipedia,
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367-11-3, Name is 1,2-Difluorobenzene, molecular formula is C6H4F2, molweight is 114.09(g/mol). In this document, One-Pot Synthesis of 3-Difluoromethyl Benzoxazole-2-thiones. Application In Synthesis of 1,2-Difluorobenzene.

A one-pot strategy for the diversified synthesis of 3-difluoromethyl benzoxazole-2-thiones is reported. The reaction of 2-aminophenol, sodium chlorodifluoroacetate, and elemental sulfur in the presence of NaOt-Bu gives exclusively 3-difluoromethyl benzoxazole-2-thiones in good yield (up to 98%). The mechanism of this reaction presumably involves first cyclization of 2-aminophenols with thiocarbonyl fluoride, followed by N-difluoromethylation with difluorocarbene. The developed synthetic procedures are versatile, robust, and easily scalable for the synthesis of 3-difluoromethyl benzoxazole-2-thione derivatives, some of which have shown insecticidal activities.

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Benzoxazole – Wikipedia,
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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 Dang, Minh-Huy Dinh, Category: benzoxazole.

Sulfur/DABCO was found to be an efficient reagent in promoting the reductive coupling/annulation of o -nitrophenols or o -nitroanilines with benzaldehydes. This method represents a simple, straightforward, and green approach to the construction of benzoxazoles and benzimidazoles.

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Benzoxazole – Wikipedia,
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When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. 76-37-9, Name is 2,2,3,3-Tetrafluoropropan-1-ol, molecular formula is C3H4F4O, belongs to benzoxazole compound. In a document, author is Debia, Natali P., Name: 2,2,3,3-Tetrafluoropropan-1-ol

Herein we report the synthesis of a series of amino acid-derived triazoles by an organocatalytic cycloaddition reaction between azides and carbonyl compounds, catalyzed by a simple amine.These compounds present absorption maxima located in the UV-B ascribed to fully spin and symmetry allowed electronic transitions and a main fluorescence emission in the UV-A (similar to 380 nm) with a relatively large Stokes shift (5700 cm(-1)). No significant solvatochromism was observed in both ground and excited states. Unexpectedly, the benzoxazole derivatives presented much higher fluorescence quantum yield values (40-80%) of compared to the sulfur analogues (3-6%). In addition, the DNA binding assays indicated that these compounds presented strong interaction with CT-DNA, which could be attributed to pi-stacking and intermolecular hydrogen-bonding. The interaction of the benzazoles with bovine serum albumin (BSA) was also investigated, where a suppression mechanism was observed. In each case, docking was performed to better understand the observed interactions. (C) 2020 Elsevier B.V. All rights reserved.

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Benzoxazole – Wikipedia,
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CO2, the main component of greenhouse gas, is currently developed as a promising surrogate of carbon feedstock. Among various conversion routes, CO(2)undergoing catalytic reduction can furnish hydrogen/energy carriers and value-added chemicals, while specific metal-containing catalysts or organocatalysts are often prerequisite for smooth proceeding of the involved reaction processes. In this work, both formic acid and N-containing benzoheterocyclic compounds (including various benzimidazoles, benzothiazole, and benzoxazole) along with silanols could be synthesized with high yields (>90%) from catalyst-free reductive upgrading of CO(2)under mild conditions (50 degrees C). The endogenous X-CO species, derived from theN-methyl-substituted amide-based solvent [Me2N-C(O)-R], especially PolarClean, andO-formyl group [O-C(O)-H] ofin situformed silyl formate, were found to play a prominent promotional role in the activation of the used hydrosilane for reductive CO(2)insertion, as demonstrated by density functional theory (DFT) calculations and isotopic labeling experiments. Moreover, reaction mechanisms and condition-based sensitivity assessment were also delineated.

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New month, new HOT articles! We are pleased to share a selection of our referee-recommended HOT articles in 2021. We hope you enjoy reading these articles. Electric Literature of 409071-16-5, Name is Lithium difluoro(oxalato)borate, molecular formula is C2BF2LiO4, molecular weight is 143.7678, MDL number is MFCD27952543, category is benzoxazole. Now introduce a scientific discovery about this category.

Benzimidazoles and perimidines are subsidiary structures for research and development of new biologically active molecules and have established prominence because of their promising biological activities. Two series of diversified heterocyclic molecules, tetracyclic benzimidazole derivatives, tetracyclic and pentacyclic perimidine derivatives have been synthesized in good yields by condensation of acid anhydrides and diacids with various diamines using microwave irradiation. All synthesized derivatives were fully characterized and evaluated for in vitro antiproliferative activity against five human cancer cell lines. Compounds 3a (breast T47D, lung NCl H-522), 3b (colon HCT-15), 3d (lung NCl H-522, ovary PA-1), 3f (breast T47D, liver HepG2) and 5a (breast T47D) exhibited good anticancer activity with values ranging from to .

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