Category: 348-54-9

New research progress on 348-54-9 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. 348-54-9, Name is 2-Fluoroaniline, molecular formula is , belongs to benzoxazole compound. In a document, author is Sukpattanacharoen, Chattarika, Reference of 348-54-9.

The effects of the electron-donating capacity altered by heteroatom substituents on the electronic structures, photophysical properties, and excited-state intramolecular proton transfer (ESIPT) processes of 3HX analogues (3HF, 3HQ, 3HTF, and 3HSO where X=O, NH, S, and SO2, respectively) have been investigated by both static calculations and dynamic simulations using density functional theory (DFT) and time-dependent DFT (TD-DFT) methods at B3LYP/TZVP level for ground state (S-0) and excited-state (S-1), respectively. The static results indicate that the intramolecular hydrogen bonds of all molecules are strengthened in the S-1 state, confirmed by the red-shift of IR vibrational spectra and the topology analysis. Heteroatom substitutions cause the red-shift on enol absorption and keto emission spectra of 3HX with relatively larger Stoke shift corresponding to their HOMO-LUMO gaps compared with that of 3HF. Frontier molecular orbitals (MOs) show that upon the photoexcitation, the charge redistribution between the proton donor and proton acceptor groups have induced the ESIPT process. Moreover, the potential energy curves (PECs) of proton transfer (PT) processes of all molecules reveal that the PT processes of all molecules are most likely to proceed in the Si state because of low barrier and exothermic reaction. The chance of ESIPT for all molecules is in this order: 3HSO > 3HTF > 3HF > 3HQ. The results of dynamic simulations confirm that the ESIPT processes of all molecules easily occur with the ultrafast time scale (48, 55, 60, 70 fs for 3HSO, 3HTF, 3HF, and 3HQ respectively). Furthermore, the PT time is anti-correlated with the electronegativity of heteroatoms in 3HX, supported by Mulliken analysis. The ESIPT process of 3HSO is the fastest among 3HX in accordance with its highest intramolecular hydrogen bond strength, lowest PT barrier, and highest exothermic reaction. Nevertheless, after the ESIPT is complete, the twisted structure of 3HSO has initiated the conical intersection, leading to no keto emission observed in the experiment. (C) 2019 Elsevier B.V. All rights reserved.

Reference of 348-54-9, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 348-54-9.

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

Research speed reading in 2021. Catalysts allow a reaction to proceed that has a lower activation energy than the uncatalyzed reaction. In heterogeneous catalysis, catalysts provide a surface to which reactants bind in a process of adsorption. 348-54-9, Name is 2-Fluoroaniline, molecular formula is , belongs to benzoxazole compound. In a document, author is Giordano, Assunta, Recommanded Product: 348-54-9.

JMJD3 is a member of the KDM6 subfamily and catalyzes the demethylation of lysine 27 on histone H3 (H3K27). This protein was identified as a useful tool in understanding the role of epigenetics in inflammatory conditions and in cancer as well. Guided by a virtual fragment screening approach, we identified the benzoxazole scaffold as a new hit suitable for the development of tighter JMJD3 inhibitors. Compounds were synthesized by a microwave-assisted one-pot reaction under catalyst and solvent-free conditions. Among these, compound 8 presented the highest inhibitory activity (IC50 = 1.22 0.22 /./M) in accordance with molecular modeling calculations. Moreover, 8 induced the cycle arrest in S-phase on A375 melanoma 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 348-54-9 is helpful to your research. Recommanded Product: 348-54-9.

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

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Wu, Dan, once mentioned the application of 348-54-9, Name is 2-Fluoroaniline, molecular formula is C6H6FN, molecular weight is 111.1169, MDL number is MFCD00007642, category is benzoxazole. Now introduce a scientific discovery about this category, Quality Control of 2-Fluoroaniline.

Synthesis of Fully Substituted Oxazoles via an NFSI/KF-Mediated Double Bond Cleavage-Rearrangement Cascade

An NFSI/KF-mediated scission/recombination of C-C double bonds for [4+1] annulation is reported, leading to the efficient synthesis of a wide range of fully substituted oxazoles in good to excellent yields under mild redox-neutral conditions. This methodology might open a new entry for the preparation of structurally applicable heterocyclic systems in a highly functional-group-compatible manner.

Do you like my blog? If you like, you can also browse other articles about this kind. Thanks for taking the time to read the blog about 348-54-9, Quality Control of 2-Fluoroaniline.

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

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 348-54-9, Name is 2-Fluoroaniline, SMILES is NC1=CC=CC=C1F, belongs to benzoxazole compound. In a document, author is Murata, Yuki, introduce the new discover, Application In Synthesis of 2-Fluoroaniline.

One-pot reaction for the synthesis of N-substituted 2-aminobenzoxazoles using triphenylbismuth dichloride as cyclodesulfurization reagent

The treatment of various 2-aminophenols with isothiocyanates afforded thioureas, which were reacted in situ with triphenylbismuth dichloride in the presence of triethylamine to give the expected N-substituted benzoxazol-2-amines in good to excellent yields. Triphenylbismuth dichloride promoted the successful cyclodesulfurization of thioureas with short reaction times under mild reaction conditions. This reaction is the first example of the synthesis of heterocyclic rings using a pentavalent organobismuth reagent. (C) 2018 Elsevier B.V. All rights reserved.

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 348-54-9 is helpful to your research. Application In Synthesis of 2-Fluoroaniline.

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

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Smith, Stefan J. D., once mentioned the application of 348-54-9, Name is 2-Fluoroaniline, molecular formula is C6H6FN, molecular weight is 111.1169, MDL number is MFCD00007642, category is benzoxazole. Now introduce a scientific discovery about this category, Recommanded Product: 2-Fluoroaniline.

Highly permeable Thermally Rearranged Mixed Matrix Membranes (TR-MMM)

Thermally Rearranged (TR) polymers and Mixed Matrix Membranes (MMMs) are two effective approaches used to advance the performance of gas separation membranes. Conversion of thermally activated groups in TR membranes result in hourglass-shaped cavities and unusually high permselectivity, whereas the inclusion of nanoparticles with engineered pore volume, window size and/or surface chemistry in MMMs can add fast and selective pathways for gas transport. In this study, we explored the effects of combining these two approaches by adding ultra-porous and highly thermostable PAF-1 nanoparticles into the TR-able polymer, 6FDA-HAB(5)DAM(5) (DAM). Gas separation performances of TR-MMMs were evaluated by comparison with the pure polymer and another TR-MMM bearing an already thermally-treated PAF-1 additive (cPAF). While both additives enhanced gas transport, only PAF-1 stabilized the TR conversion reaction and improved the TR-MMM’s material properties. Minor variations in cPAF surface changed the TR-MMM interfacial interactions as well as other properties crucial to the application of advanced membrane materials, namely aging, plasticization, and mechanical stability. By combining thermal rearrangement process with PAF-1, TR-MMM demonstrated a 55-fold increase in CO2 gas permeability (37-fold for H-2) at similar gas selectivities, but without the handling issues observed for the pure TR polymer membrane.

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

348-54-9, Name is 2-Fluoroaniline, molecular formula is C6H6FN, Name: 2-Fluoroaniline, belongs to benzoxazole compound, is a common compound. In a patnet, author is Abdel-Gawad, Sherif A., once mentioned the new application about 348-54-9.

Solid-phase extraction and validated spectrofluorimetric quantification of pamidronate in human plasma

Purpose: To design a simple and sensitive quantification procedure for pamidronate disodium (PAM) after its solid phase extraction from plasma. Methods: The procedure was based on derivatization of PAM using a suitable fluorogen, 4-chloro-7-nitro-2,1,3-benzoxazole. The product was determined spectrofluorometrically at excitation and emission wavelengths of 390 and 535 nm, respectively. The method was optimized for all factors that affect the reaction between PAM and the fluorogen. These factors include diluting solvent, pH of the reaction medium, volume of fluorogen solution, buffer pH, buffer volume, temperature and heating time. The method was fully validated according to US-FDA guidelines with respect to linearity, accuracy, precision, recovery, robustness and stability. Results: PAM was successfully extracted from human plasma with solid-phase extraction technique. A linear response was obtained in the concentration range of 10 – 100 ng/mL, with correlation coefficient of 0.998. Mean maximum plasma concentration of PAM was 9.73.2 +/- 3.2 mu mol/L, which was within the linear range of the proposed method, thereby confirming its sensitivity for the determination of plasma PAM. Conclusion: The proposed procedure is suitable for the quantification of PAM in human plasma after its solid phase extraction. The method is sensitive enough for use in PAM determination in pharmacokinetic studies. Moreover, it is likely a more cost-effective and simpler alternative method than high performance liquid chromatograph (HPLC) methods.

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 348-54-9 help many people in the next few years. Name: 2-Fluoroaniline.

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

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter.348-54-9, Name is 2-Fluoroaniline, SMILES is NC1=CC=CC=C1F, belongs to benzoxazole compound. In a document, author is Zheng, Ling-Li, introduce the new discover, Computed Properties of C6H6FN.

Pd/Cu bimetallic co-catalyzed direct 2-arylation of benzoxazole with aryl chloride

An efficient Palladium/Copper bimetallic co-catalyzed direct 2-arylation of benzoxazoles with aryl chlorides is presented. The Pd(OAc)(2)/Cul/NiXantphos-based catalyst enables the installation of various aryl and heteroaryl groups in good to excellent yields (75-99%). Preliminary mechanism investigation indicates that Pd/Nixantphos complex activates C-Cl bond of aryl chlorides via oxidative addition, and Cu/Nixantphos complex chelates with nitrogen atom to lower the pK(a) of the 2-H in benzoxazoles. (C) 2019 Elsevier Ltd. All rights reserved.

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 348-54-9 is helpful to your research. Computed Properties of C6H6FN.

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

In an article, author is Ghanavatkar, Chaitannya W., once mentioned the application of 348-54-9, COA of Formula: C6H6FN, Name is 2-Fluoroaniline, molecular formula is C6H6FN, molecular weight is 111.1169, MDL number is MFCD00007642, category is benzoxazole. Now introduce a scientific discovery about this category.

Red Emitting Hydroxybenzazole (HBX) Based Azo Dyes: Linear and Non Linear Optical Properties, Optical Limiting, Z Scan Analysis with DFT Assessments

Herein, we report the hydroxybenzazole (HBX) containing azo dyes for linear and non-linear optical (NLO) applications. These bi-heterocyclic dyes have HBX scaffold (decorated with ESIPT core) and connected to another thiazole moietiy through azo bond. In DMF and DMSO, dyes are emissive in yellow-red region and large Stokes shift in the range of 62-121 nm were observed. Nonlinear absorptive coefficient (beta), nonlinear refractive index (n(2)), third order non-linear optical susceptibility (chi(3)) in DMSO, ethanol and methanol were calculated using simple and effective Z-scan technique having Nd: YAG laser at 532 nm wavelength. 4.46 x 10(-13) (e.s.u.) was the highest (chi(3)) was observed in DMSO among all the dyes. Optical Limiting (OL) values are in the range of 7.61-19.06 J cm(-2) in solvents. Thermo Gravimetric Analysis (TGA) supports that, these compounds are useful for numerous high-temperature practices in the construction of electronic as well as optical devices. Band gap was calculated by CV as well as by DFT in acetonitrile. The same trend was observed when these HOMO-LUMO gaps were correlated in between CV and DFT. To gain more insights into structural parameters, molecular geometries were optimized at B3LYP-6-311 + G (d,p) level of theory. Further, Molecular Electrostatic Potential (MEP), Frontier Molecular Orbitals (FMO) were presented using Density Functional Theory (DFT). Global hybrid functional (B3LYP, BHandHLYP) and range separated hybrid functionals (RSH) i.e. CAM-B3LYP, omega B97, omega B97X, and omega B97XD were used to calculate linear and NLO properties. Graphical

If you are interested in 348-54-9, you can contact me at any time and look forward to more communication. COA of Formula: C6H6FN.

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

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 348-54-9, Name is 2-Fluoroaniline, SMILES is NC1=CC=CC=C1F, belongs to benzoxazole compound. In a document, author is Kaur, Avneet, introduce the new discover, Recommanded Product: 2-Fluoroaniline.

Synthesis, biological evaluation and docking study of N-(2-(3,4,5-trimethoxybenzyl)benzoxazole-5-yl) benzamide derivatives as selective COX-2 inhibitor and anti-inflammatory agents

A series of N-(2-(3,4,5-trimethoxybenzy1)-benzoxazole-5-yObenzamide derivatives (3a-3n) was synthesized and evaluated for its in vitro inhibitory activity against COX-1 and COX-2. The compounds with considerable in vitro activity (IC50 < 1 mu M), were evaluated in vivo for their anti-inflammatory and ulcerogenic potential. Out of the fourteen newly synthesized compounds; 3b, 3d, 3e, 3h, 31 and 3m were found to be most potent COX-2 inhibitors in in vitro enzymatic assay with IC 50 in the range of 0.14-0.69 mu M. In vivo anti-inflammatory activity of these six compounds (3b, 3d, 3e, 3h, 31 and 3m) was assessed by carrageenan induced rat paw edema method. The compound 3b (79.54%), 31 (75.00%), 3m (72.72%) and 3d (68.18%) exhibited significant anti-inflammatory activity than standard drug ibuprofen (65.90%). Ulcerogenic activity with histopathological studies was performed, and the screened compounds demonstrated significant gastric tolerance than ibuprofen. Molecular Docking study was also performed with resolved crystal structure of COX-2 to understand the interacting mechanisms of newly synthesized inhibitors with the active site of COX-2 enzyme and the results were found to be in line with the biological evaluation studies of the compounds. 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 348-54-9 is helpful to your research. Recommanded Product: 2-Fluoroaniline.

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