Tag: M.W:100-200

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 10465-78-8, Name is N1,N1,N2,N2-Tetramethyldiazene-1,2-dicarboxamide, SMILES is O=C(/N=N/C(N(C)C)=O)N(C)C, in an article , author is Xia, Lixian, once mentioned of 10465-78-8, Category: benzoxazole.

Synthesis, structure, fluorescence, and electrochemical properties of a binuclear Ag(I) complex with 1,4-bis benzo[d]oxazol-2-yl)butane as a ligand

Reaction of 1,4-bis(benzo[d]oxazol-2-yl)butane (BBO) with [Ag(CH3CN)(4)(ClO4)] afforded a new binuclear silver(I) complex, with composition [Ag-2(BBO)(2)(ClO4)(2)], characterized by elemental analysis, UV/Vis and IR spectroscopy, and single-crystal X-ray diffraction. The results show that the Ag(I) complex consists of a centrosymmetric dimetallacyclic structure assembled from two Ag(I) atoms and two bridging BBO ligands. The coordination environment of silver(I) complex can be described as distorted trigonal planar, with one oxygen atom from a perchlorate anion and two nitrogen atoms from two BBO ligands. The luminescence properties of the ligand and the Ag(I) complex were studied in the solid state. The emission peaks of the Ag(I) complex are attributed to ligand-centered transitions. There is no effect of the complexation except for a partial quenching. The cyclic voltammograms of the Ag(I) complex indicated an irreversible Ag+/Ag couple.

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

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Category: benzoxazole, 2343-89-7, Name is Methyl 2-fluoroacrylate, SMILES is C=C(F)C(OC)=O, in an article , author is Toiserkani, Hojjat, once mentioned of 2343-89-7.

Modification of poly(benzimidazole-amide) nanocomposites by the incorporation of amine-functionalized ZnO nanoparticles: Thermal and morphological characterization

Fabrication, characterization, and properties of novel poly(benzimidazole-amide)/functionalized ZnO nanocomposites (PBIA/APS-ZnO NCs) were investigated. At first, an aromatic PBA containing 3 imidazole units per repeat unit was synthesized by direct polycondensation of 1,3-bis(5-carboxylic acid-2-benzimidazole)benzene (BCAB) with 5-(2-benzimidazole)-1,3-phenylenediamine (DAMI) with good yield as a polymeric matrix. The periphery of zinc oxide nanoparticles (ZnO NPs) was modified with 3-aminopropyltriethoxysilane (APS) to have a better dispersion NPs and enhancing interactions between nanoparticles and PBIA matrix. Different percentages of functionalized NPs (0, 4, 8, and 12wt.%) were then embedded in PBA matrix through ultrasonic irradiation technique. Fourier transform infrared and thermo-gravimetric analysis (TGA) confirmed that APS was successfully attached on the ZnO NP surface. The obtained NCs were characterized by means of Fourier transform infrared, X-ray diffraction, scanning electron microscopy, and TGA. The TGA of the PBIA/APS-ZnO NCs showed the enhancement in the thermal stability in comparison with the neat PBIA and that this increase is higher when the NP content increases. Scanning electron microscopy analyses of NCs revealed that the dispersion of APS-ZnO NPs was uniformly done in the PBIA matrix.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 2343-89-7, you can contact me at any time and look forward to more communication. Category: benzoxazole.

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

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 273-53-0, Name is Benzoxazole, SMILES is C1=CC=CC2=C1N=CO2, belongs to benzoxazole compound. In a document, author is Ayaz, Furkan, introduce the new discover, Computed Properties of C7H5NO.

Symmetric bis-benzoxazole-based chemicals exerted anti-inflammatory effect on danger signal LPS-stimulated macrophages

Inflammatory responses are generated against the danger molecules under normal conditions but excessive or chronic inflammation leads to tissue degeneration and loss of function. To prevent the disease symptoms associated with the inflammatory disorders or the growth of tumor types that require inflammatory environment, generation of immunomodulatory drugs with suppressive functions have great potentials. In this study, we synthesized new generation of anti-proliferative bis-benzoxazole derivatives and tested their anti-inflammatory and anti-cancer potencies. For this purpose, we used a well-characterized mouse macrophage cell line (RAW 264.7). Furthermore, anti-cancer activity of these compounds were tested using MTT assay on prostate (DU145) and breast (MCF7) cancer cells. The screening results revealed that all compounds possessed a high-level anti-inflammatory potential by reducing the expression of inflammatory cytokines in LPS-stimulated macrophages. There were significant and substantial reductions in the secreted TNF alpha, IL6, and IL1 beta levels by chemically treated LPS-induced macrophages compared to non-treated induced ones. Our compounds exerted their anti-inflammatory effect in a dose-dependent manner and they were biologically active even in low nanomolar range concentrations. Bis-benzoxazole derivatives had anti-proliferative effect on MCF-7 and DU-145 cancer cells. Together, our results present a series of new bis-benzoxazole-based compounds with potential therapeutic effects in inflammatory diseases and on tumor cells.

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 273-53-0 is helpful to your research. Computed Properties of C7H5NO.

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

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 372-38-3, Name is 1,3,5-Trifluorobenzene, formurla is C6H3F3. In a document, author is Soselia, Marina, introducing its new discovery. Recommanded Product: 1,3,5-Trifluorobenzene.

The Synthesis of Adamantane Ring Containing Benzimidazole, Benzoxazole, and Imidazo[4,5-e]benzoxazole Derivatives from 3-Aminophenol

Adamantane derivatives containing heterocycles such as benzimidazoles, benzoxazoles, and fused imidazo[4,5-e]benzoxazoles were synthesized from 3-aminophenol. The route started with amidation of adamantane-1-carboxylic acid chloride with 3-aminophenol furnishing N-(3-hydroxyphenyl)adamantane-1-carboxamide. Subsequent nitration gave three regioisomers. After reduction of the nitro groups, the respective aniline derivatives were used in the formation of benzimidazole and benzoxazole rings. The cyclization of the 2-substituted benzoxazole ring was performed using two methods: via condensation of N-(2-amino-3-hydroxyphenyl)adamantane-1-carboxamide with carbonitriles in the presence of a Lewis acid or via Cu(II)-catalyzed oxidative coupling of aminophenol with aromatic aldehydes. The benzimidazole ring formed by acid-catalyzed cyclization of N-(2-amino-5-hydroxyphenyl)adamantane-1-carboxamide was then converted to a tricyclic system after three synthetic steps.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 372-38-3 help many people in the next few years. Recommanded Product: 1,3,5-Trifluorobenzene.

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

Chemistry can be defined as the study of matter and the changes it undergoes. You’ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 10465-78-8, Name is N1,N1,N2,N2-Tetramethyldiazene-1,2-dicarboxamide, molecular formula is , belongs to benzoxazole compound. In a document, author is Silva, Ana L. R., Formula: C6H12N4O2.

Experimental and computational thermochemical study of two fluorobenzazoles: 5-fluoro-2-methylbenzoxazole and 5-fluoro-2-methylbenzothiazole

An energetic study of 5-fluoro-2-methylbenzoxazole (FMBO) and of 5-fluoro-2-methylbenzothiazole (FMBT), in condensed and gaseous states, has been performed using calorimetric techniques and computational calculations. The standard (p degrees = 0.1 MPa) molar enthalpies of formation of FMBO and FMBT, in the liquid phase, at T = 298.15 K, were derived from the corresponding standard molar energies of combustion, measured by rotating-bomb combustion calorimetry. At T = 298.15 K, the standard (p degrees = 0.1 MPa) molar enthalpy of vaporization, for each compound, was determined, by a direct method, using the vacuum drop microcalorimetric technique. For each compound, from this last value and from the enthalpy of formation of the liquid compounds, the corresponding standard (p degrees = 0.1 MPa) enthalpy of formation in the gaseous phase has been calculated. Additionally, the gas-phase standard molar enthalpies of formation of these two compounds were estimated computationally at the G3(MP2)//B3LYP level of theory, as well as their gas-phase basicities and proton affinities. (C) 2018 Elsevier Ltd.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 10465-78-8, in my other articles. Formula: C6H12N4O2.

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

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 392-56-3, Name is Hexafluorobenzene, molecular formula is C6F6. In an article, author is Yang, Guang,once mentioned of 392-56-3, Computed Properties of C6F6.

Hydrogen bonding interactions induced excited state proton transfer and fluoride anion sensing mechanism for 2-(3,5-dichloro-2,6-dihydroxy-phenyl)-benzoxazole-5-carboxylicacid

The present work explores and reports photo-induced behavior and excited state intramolecular proton transfer (ESIPT) process for the novel 2-(3,5-dichloro-2,6-dihydroxy-phenyl)-benzoxazole-5-carboxylicacid (DICH) compound. Our theoretical investigation implies that two intramolecular hydrogen bonds (O1H2 center dot center dot center dot N3 or O4H5 center dot center dot center dot O6) of DICH form are strengthening in the first excited state by comparing bond lengths, bond angles, and infrared (IR) spectra, which may facilitate the ESIPT process effectively. Particularly, the changes of O1H2 center dot center dot center dot N3 are bigger than O4H5 center dot center dot center dot O6, which demonstrates that the ESIPT is more likely to happen along with O1H2 center dot center dot center dot N3. Within the framework of MOs analysis, intramolecular charge transfer phenomenon can be found, which could be a reasonable evidence for confirming the occurrence of the ESPT process in the S-1 state. We theoretically construct the potential energy curves for DICH system based on fixing both O1H2 and O4H5 bond lengths and optimizing structures in both S-0 and S-1 states. Through the comparisons of potential barriers among stable configurations, we confirm the S-1-state DICH-PT1 (proton-transfer tautomer along with O1H2 center dot center dot center dot N3) should be the most reasonable configuration ascribed to previous experimental emission peak. Furthermore, we also predict and explain the fluoride-sensing mechanism for DICH system that the deprotonation reaction bringing from fluoride anion inhibits the initial ESIPT process of DICH, which results in the novel changes of ultraviolet-visible (UV-Vis) spectra that plays the roles in fluorescence response. We sincerely hope this work could provide essential insights into the design and function of ESIPT as well as florescence sensor for optoelectronic applications.

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

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Formula: C6HF5, 363-72-4, Name is Pentafluorobenzene, molecular formula is C6HF5, belongs to benzoxazole compound. In a document, author is Kumar, Jogendra, introduce the new discover.

Pd-II-Catalyzed methoxylation of C(sp(3))-H bonds adjacent to benzoxazoles and benzothiazoles

The Pd(OAc)(2)/PhI(OAc)(2) catalyst system promotes the highly regioselective dehydrogenative methoxylation of a C(sp(3))-H bond adjacent to benzoxazole and benzothiazole rings. The title transformation constitutes the first example of a Pd-catalyzed C(sp(3))-H activating methoxylation at the proximal-selective a-position with regard to a directing auxiliary and provides expedient access to an important class of azole-decorated methyl ethers (up to 90% isolated yield). The synthetic practicality of the methodology was demonstrated by achieving a-methoxyacetic acids via the elimination of the benzoxazole auxiliaries and by obtaining the precursor of an O-methylated Breslow intermediate.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 363-72-4. Formula: C6HF5.

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

Reference of 348-54-9, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 348-54-9, Name is 2-Fluoroaniline, SMILES is NC1=CC=CC=C1F, belongs to benzoxazole compound. In a article, author is Ogawa, Shin-ichiro, introduce new discover of the category.

Prediction of circulating human metabolites of pemafibrate, a novel antidyslipidemic drug, using chimeric mice with humanized liver

Pharmacokinetics and metabolism of recently launched antidyslipidemic drug pemafibrate ((2R)-2-[3-({1,3-benzoxazol-2-yl[3-(4-methoxyphenoxy)propyl]amino}methyl)phenoxy]butanoic acid) was investigated in chimeric mice with humanized liver in the present study. The plasma unbound fractions of [C-14]pemafibrate in mice (0.0046-0.0048) were higher than those in monkeys and humans (0.0015-0.0022). In chimeric mice with humanized liver intravenously treated with pemafibrate at 1.0 mg/kg body weight, the pharmacokinetic parameters (CLtotal, V-ss and AUC(0-inf)) of unbound pemafibrate in chimeric mice with humanized liver were more similar to those reported in monkeys and humans than those in control mice. High concentrations of N-dealkylated form (M4) and benzoxazole 6-hydroxylated form (M6) of pemafibrate in plasma were observed as the main circulating metabolites in chimeric mice with humanized liver treated with pemafibrate. Moreover, the concentrations of other specified metabolites of pemafibrate were much higher in chimeric mice with humanized liver than in control mice. These results suggest that there are species differences in the pharmacokinetics of pemafibrate in vivo between mice tested and humans reported. Moreover, chimeric mice with humanized liver seem to be a beneficial animal model for further studies to predict the circulating human metabolites of pemafibrate and their pharmacokinetics.

Reference of 348-54-9, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 348-54-9 is helpful to your research.

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

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 2343-89-7, Name is Methyl 2-fluoroacrylate, SMILES is C=C(F)C(OC)=O, in an article , author is Zomorodian, Kamiar, once mentioned of 2343-89-7, COA of Formula: C4H5FO2.

SYNTHESIS AND ANTIFUNGAL ACTIVITY OF BENZOXAZOLE DERIVATIVES WITH THEIR SAR ANALYSIS BY SAS-MAP

A simple and efficient method has been developed for the synthesis of benzoxazole derivatives. In the first step, 2-aminophenols reacted with various aldehydes in the presence of titanium supported nano-silica to produce an imine intermediate. Then the imine was oxidized to get the final azole compounds. Eleven derivatives were synthesized (c)-(m) via this simple and environmentally friendly procedure with high yields. The simple methodology (only 2 steps) with high yields for the reactions and easy procedure are the advantages of the newly developed method. The identification and characterization of all the synthesized compounds were confirmed by melting point, thin layer chromatography, FT-IR, H-1 NMR and C-13 NMR spectral data. Also elemental analysis was applied for five compounds. All the compounds were screened for antimicrobial activity by broth microdilution methods as recommended by CLSI. Of the tested compounds 2-(2,4-dichlorophenyl)-1,3-benzoxazole (g), and 2-( 4-chlorophenyl)-1,3-benzoxazole (f) inhibited the growth of all examined fungi, while 2-(4-nitrophenyl)-1,3-benzoxazole (c) exhibited inhibitory activities only against the tested yeasts.

Interested yet? Read on for other articles about 2343-89-7, you can contact me at any time and look forward to more communication. COA of Formula: C4H5FO2.

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

530-62-1, Name is Di(1H-imidazol-1-yl)methanone, molecular formula is C7H6N4O, belongs to benzoxazole compound, is a common compound. In a patnet, author is Osmaniye, Derya, once mentioned the new application about 530-62-1, Recommanded Product: Di(1H-imidazol-1-yl)methanone.

Synthesis of some new benzoxazole derivatives and investigation of their anticancer activities

Phortress is an anticancer prodrug, which has active metabolite (5F-203) being potent agonist of the aryl hydrocarbon receptor (AhR). The 5F-203 switches on cytochrome P450 CYP1A1 gene expression and thus exhibits anticancer activity. In this study, it is aimed to obtain new phortress analogues by bioisosteric replacement of benzothiazole core in the structure to benzoxazole ring system. Synthesis of compounds (3a-3p) were performed according to literature methods. Their structures were elucidated by IR, H-1 NMR, C-13 NMR, 2D-NMR and HRMS spectroscopic methods. Cytotoxicity (MTT), inhibition of DNA synthesis and flow cytometric analysis assays were applied to determine anticancer activity of the compounds on colon (HT-29), breast (MCF7), lung (A549), liver (HepG2) and brain (C6) carcinoma cell types. When compared reference agent doxorubicin, compounds 3m and 3n displayed very attractive anticancer effect against carcinogenic cell lines. Due to structural similarity to phortress, biotransformation studies for 3m and 3n were examined by LCMS-IT-TOF system and probable metabolites of these compounds were determined. Induction potential of these compounds on CYP1A1/2 enzymes was also investigated to clarify possible mechanism of action. Interaction modes between CYP1A1 enzyme and compound 3n or its some metabolites were investigated by docking studies. In conclusion, findings of these study indicate that compounds 3m and 3n possess significant anticancer activity, probably with the same mechanism of action to Phortress. (C) 2020 Elsevier Masson SAS. All rights reserved.

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