Category: 1075705-01-9

Why do aromatic interactions matter? In this blog, let’s explore why it’s so important to understand aromatic interactions using C7H7FN2O3 as examples. Electric Literature of 1075705-01-9

A novel series of substituted 2-thiohydantoin incorporated with benzoimidazole, pyrazole, triazole and/or benzoxazole moieties has been synthesized using (E)-3-[1-(4-bromophenyl) ethylideneamino]-2-thioxoimidazolidin-4-one 1 as the key starting material. The key material 1 also, reacted with an acetic anhydride, aromatic aldehydes, secondary amines, formaldehyde and triethyl orthoformate to give the corresponding acetyl, chalcone, Mannich bases and ethoxymethylene derivatives, respectively. The structures of the novel compounds were confirmed by spectral data and elemental analysis. The cytotoxic activity of all synthesized compounds was assessed in vitro against human hepatocellular cancer cell line (HePG-2) and breast carcinoma cell line (MCF-7). The bioassay results revealed that compound 14 has the best activity against HePG-2 cell line (IC50 = 2.33 mu g/mL), while compound 5 has the best activity against MCF-7 cell line (IC50 = 3.98 mu g/mL).

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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. 1075705-01-9, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is C7H7FN2O3, belongs to benzoxazole compound. In a document, author is Benzekri, Zakaria, Reference of 1075705-01-9.

A simple, efficient and green procedure for synthesis 1-(benzothiazolylamino)methyl-2-naphthol derivatives via one-pot three-component condensation of aromatic aldehydes, beta-naphthol and 2-aminobenzothiazole has been studied by using a novel hybrid catalyst NH3(CH2)(5)NH3BiCl5 under solvent-free conditions at 100 degrees C. This method has several advantages such as operational simplicity, recyclability of catalyst, easy workup, short reaction time and excellent yields. (C) 2019 Elsevier B.V. All rights reserved.

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Reference:
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. Application In Synthesis of 4-Fluoro-2-methoxy-5-nitroaniline, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is C7H7FN2O3, molecular weight is 186.1405, category is benzoxazole. Now introduce a scientific discovery about this category.

In the present work, 2-substituted benzoxazole derivatives were synthesized from 2-(benzo[d]oxazol-2-yl) aniline. All the synthesized compounds were purified and characterized by H-1 NMR, C-13 NMR, and mass spectroscopy. All the compounds were pharmacologically evaluated for its in vitro anti-inflammatory efficacy using membrane stabilization and proteinase inhibitory methods. In addition to this, in silico molecular docking studies were carried out to predict the binding affinity of the synthesized benzoxazole derivatives with prostaglandin H2 synthase (PGHS) protein and trypsin enzyme. The results obtained from in vitro anti-inflammatory studies showed that compound 3, 4, and 6a showed good efficacy with percentage inhibition of 74.26 +/- 1.04, 80.16 +/- 0.24, and 70.24 +/- 0.68 for membrane stabilization activity 80.19 +/- 0.05, 85.30 +/- 1.04, and 75.68 +/- 1.28 towards proteinase inhibitory efficacy at a concentration of 100 mu g/mL which was on par to that of standards aceclofenac and etodolac. Molecular docking analysis showed that compounds 3 and 4 possess good binding affinity towards PGHS protein with a docking score of – 9.4 and – 9.3 kcal/mol respectively.

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

Six benzoxazole-terminated mesogenic compounds with fluoro substituent at different positions were prepared and their properties investigated. The compounds give a high birefringence (Delta n similar to 0.45) and a large-dielectric anisotropy (Delta epsilon similar to 26), indicating a possible application in liquid-crystal mixture as a dopant to enhance performance of the host mixture. In accordance with conventional high Delta n liquid crystals containing triple carbon-carbon bonds, lateral fluoro substituents and terminal groups can alter the Delta n and Delta epsilon of benzoxazole-terminated liquid crystals. Meanwhile, some parameters such as dipole moment, polarisability, dihedral angles are calculated with density functional theory (DFT) methods to relate to the experimental Delta n and Delta epsilon. It is noted that the introduction of the benzoxazole unit is an effective method to enhance Delta n and Delta epsilon values of the rodlike molecule, this is ascribed to its pi-conjugated benzene-fused heterocycle and large dipole moment. [GRAPHICS] .

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

A couple of challenges comes to mind: improving temperature dependence of relative stabilities of polymorphs would help in identifying enantiotropic relationships. 1075705-01-9, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is C7H7FN2O3, belongs to benzoxazole compound. In a document, author is Liu, Mingyang, Recommanded Product: 4-Fluoro-2-methoxy-5-nitroaniline.

Transformation of aryl alcohols into high-value functionalized aromatic compounds by selective cleavage and functionalization of the C(aryl)-C(OH) bond is of crucial importance, but very challenging by far. Herein, for the first time, we report a novel and versatile strategy for activation and functionalization of C(aryl)-C(OH) bonds by the cooperation of oxygenation and decarboxylative functionalization. A diverse range of aryl alcohol substrates were employed as arylation reagentsviathe cleavage of C(aryl)-C(OH) bonds and effectively converted into corresponding thioether, arene, and arylated benzoxazole products in excellent yields, in a Cu based catalytic system using O(2)as the oxidant. This study offers a new way for aryl alcohol conversion and potentially offers a new opportunity to produce high-value functionalized aromatics from renewable feedstocks such as lignin which features abundant C(aryl)-C(OH) bonds in its linkages.

Therefore, highly desirable that these risks are identified and discharged early on to avoid potential scale-up issues about 1075705-01-9. Recommanded Product: 4-Fluoro-2-methoxy-5-nitroaniline.

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

The flat faces of aromatic rings also have partial negative charges due to the π-electrons. Similar to other non-covalent interactions –including hydrogen bonds, electrostatic interactions and Van der Waals interactions, Related Products of 1075705-01-9.

New kinds of heterocyclic mesogenic compounds containing benzoxazole, ethynyl, and laterally fluorinated phenyl groups, namely 2-[4-[2-[4-alkoxyphenyl]ethynyl]-2,3-difluorophenyl]benzoxazole derivatives (nPEDFPBx), are synthesized and evaluated. The compounds nPEDFPBx except nitro-substituted ones have enantiotropic nematic mesophases with mesophase ranges of 16-86 degrees C and 29-108 degrees C on heating and cooling, respectively. The results show that introduction of two lateral fluorine atoms into molecule results in enhanced nematic mesophase stability. Meanwhile, nPEDFPBx displays much higher birefringence (0.507-0.624) than common tolanebased liquid crystals, which is ascribed to its large pi-conjugated molecule composed of benzene, ethynyl, and benzoxazole mesogenic unit. The nPEDFPBx has a high potential to serve as a dopant for liquid crystal mixture. [GRAPHICS] .

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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. 1075705-01-9, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is , belongs to benzoxazole compound. In a document, author is Zhang, Pingshun, Name: 4-Fluoro-2-methoxy-5-nitroaniline.

We report an efficient palladium-catalyzed approach to the synthesis of benzoxazole derivatives via sequential heteroarylation/acylation reaction of iodobenzenes. Three readily available starting materials, iodobenzenes, anhydrides, and benzoxazoles, were smoothly coupled to form new C-C bonds at the ortho and ipso positions of the iodobenzenes to afford 2-heteroaryl-3-acylbenzene derivatives in good yields.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 1075705-01-9. Name: 4-Fluoro-2-methoxy-5-nitroaniline.

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. 1075705-01-9, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is , belongs to benzoxazole compound. In a document, author is Angajala, Gangadhara, Category: benzoxazole.

In the present work, 2-substituted benzoxazole derivatives were synthesized from 2-(benzo[d]oxazol-2-yl) aniline. All the synthesized compounds were purified and characterized by H-1 NMR, C-13 NMR, and mass spectroscopy. All the compounds were pharmacologically evaluated for its in vitro anti-inflammatory efficacy using membrane stabilization and proteinase inhibitory methods. In addition to this, in silico molecular docking studies were carried out to predict the binding affinity of the synthesized benzoxazole derivatives with prostaglandin H2 synthase (PGHS) protein and trypsin enzyme. The results obtained from in vitro anti-inflammatory studies showed that compound 3, 4, and 6a showed good efficacy with percentage inhibition of 74.26 +/- 1.04, 80.16 +/- 0.24, and 70.24 +/- 0.68 for membrane stabilization activity 80.19 +/- 0.05, 85.30 +/- 1.04, and 75.68 +/- 1.28 towards proteinase inhibitory efficacy at a concentration of 100 mu g/mL which was on par to that of standards aceclofenac and etodolac. Molecular docking analysis showed that compounds 3 and 4 possess good binding affinity towards PGHS protein with a docking score of – 9.4 and – 9.3 kcal/mol respectively.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 1075705-01-9 is helpful to your research. Category: benzoxazole.

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. 1075705-01-9, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is , belongs to benzoxazole compound. In a document, author is Beegum, Shargina, Quality Control of 4-Fluoro-2-methoxy-5-nitroaniline.

A benzoxazole derivative, 2-(p-methylphenyl)-5-(2-(4-ethylpiperazine-1-yl)acetamido) benzoxazole (PMPEPAB) has been synthesized and investigated for its spectroscopic properties within the framework of density functional theory (DFT) calculations and molecular dynamics (MD) simulations. Potential energy distribution analysis was employed in order to assign and compare computationally and experimentally obtained wavenumbers. It was identified that the title compound exhibits antibacterial activity against Gram-positive, Gram-negative bacteria and their drug-resistant isolates and a fungus; Candida albicans. TD-DFT calculations have been used in order to understand charge transfer within PMPEPAB. Natural bond orbital analysis has been carried out to investigate stability of the molecule arising from charge delocalization and hyper-conjugative interactions. Local reactivity properties have been assessed using the MEP and ALIE surfaces and Fukui functions. Stability in water and sensitivity towards hydrolysis has been investigated by MD simulations and calculations of radial distribution functions, while sensitivity towards autoxidation mechanism has been studied by DFT calculations of bond dissociation energies for hydrogen abstraction. Drug likeness parameters are very competitive, while the binding affinity of the title compound with immunoglobulin tandem protein is -6.4 kcal/mol, indicating that title molecule is a candidate to be active component of a new drug for muscular dystrophy. (C) 2018 Elsevier B.V. All rights reserved.

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

New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 1075705-01-9, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is , belongs to benzoxazole compound. In a document, author is Nguyen Thi Ngoc Mai, SDS of cas: 1075705-01-9.

A novel series of 5-(benzo[d]thiazol-2-yl)benzo[d]oxazole-based compounds was synthesized in four linear steps in high yield from vanillin. Both benzo[d]thiazole and benzordioxazole cyclizations were assisted with a domestic microwave oven in about 4-8 minutes in which the yield of the benzo[d]oxazole cyclization was up to 92%. Structures of the new synthesized compounds were elucidated by spectral data.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 1075705-01-9 is helpful to your research. SDS of cas: 1075705-01-9.

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