Extracurricular laboratory:new discovery of Benzofuran-2-carboxylic acid

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The cyclization of N-allyl-N-carbetoxy-substituted aminothiophenes and furans was performed by intramolecular Pd(II)- catalyzed oxidative coupling. The process involves a nucleophilic attack of a heteroaromatic carbon to the internal carbon of the pi-olefin complex through a 5-exo-trig ring-formation. Better conditions required PdCl2(MeCN)2 as catalyst, CuCl2 as co-catalyst and an environmentally friendly reoxidant such as O2 to promote the catalytic cycle. Georg Thieme Verlag Stuttgart.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1738O – PubChem

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In heterogeneous catalysis, the catalyst is in a different phase from the reactants. Safety of Benzofuran-2-carboxylic acid, At least one of the reactants interacts with the solid surface in a physical process called adsorption in such a way. 496-41-3, name is Benzofuran-2-carboxylic acid. In an article,Which mentioned a new discovery about 496-41-3

A Rh(iii)-catalyzed C-H activation followed by conjugate addition to maleimides, using carboxylic acid as a traceless/deciduous directing group, to formally furnish a Csp2-C sp3 bond is presented. For the first time, derivatives of acrylic acid have been shown as surrogates for the unstable and expensive alkenyl boronic acids.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1739O – PubChem

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496-41-3, Name is Benzofuran-2-carboxylic acid, belongs to benzofurans compound, is a common compound. Formula: C9H6O3In an article, once mentioned the new application about 496-41-3.

The synthesis and antimicrobial activity of a new series of 2-(substitutedphenyl/benzyl)-5-[(2-benzofuryl)carboxamido]benzoxazole derivatives 3-12 were described. The in vitro antimicrobial activity of the compounds was determined against some Gram-positive, Gram-negative bacteria and fungi and their drug-resistant isolates in comparison with standard drugs. Antimicrobial results indicated that the synthesized compounds possessed a broad spectrum of activity with MIC values 500-15.625 mug/ml. In the series, the most active compound against Candida krusei and Candida albicans isolate is 8 with MIC value 31.25 mug/ml. However, it is one dilution less potent than the compared fluconazole. Some of the screened compounds exhibit significant activity, having MIC value as 31.25 mug/ml in Pseudomonas aeruginosa having same activity as Rifampicin. Furthermore, considering the worth of developing new antibacterial agents against drug-resistant P. aeruginosa the present study explores the structure-activity relationship analysis of 2-(substitutedphenyl/benzyl)-5-[(2-benzofuryl)carboxamido]benzoxazoles using 3D-common features pharmacophore hypotheses approach.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1721O – PubChem

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Related Products of 496-41-3, 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. 496-41-3, Name is Benzofuran-2-carboxylic acid, molecular formula is C9H6O3. In a Article,once mentioned of 496-41-3

Coordination complexes of transition metal cations (CoII, NiII, CuII and ZnII) containing coumarilate and N,N?-diethylnicotinamide were synthesized. The structural characterization and thermal behaviour analysis of novel samples synthesized were conducted through elemental analysis, magnetic susceptibility, solid-state UV?Vis, direct and injection probe mass spectra, FTIR spectra, thermoanalytic TG-DTG/DTA and single crystal X-ray diffraction methods. The structural details of single crystals of [Co(dena)2(H2O)4](coum)2 (I) and [Cu(coum)2(dena)2(H2O)2] (III) complexes were resolved completely. Moreover, the results of analysis obtained for [Ni(coum)2(dena)2(H2O)2] (II) and [Zn(dena)2(H2O)4](coum)2 (IV) complexes were interpreted considering the samples with crystal structures defined and made assumptions about the structural details. It was determined that the complex of CoII metal cation has salt-type structure and the coordination number of metal is accomplished to six as the sum of 4 mol of water and also 2 mol of N,N?-diethylnicotinamide ligands in trans position located within the coordination sphere. It was observed that 2 mol of coumarilate anions are located outside the coordination sphere and have stabilized to the charge (2+) of metal. The CuII complex has totally molecular structure, and the coordination sphere of metal cation was 6 as the sum of 2 mol of water, 2 mol of N,N?-diethylnicotinamide and 2 mol of monoanionic monodentate coumarilate ligands. All ligands have been located in ?trans position. The geometry of both complex structures is distorted octahedral. It is assumed that the NiII complex structure is isostructural with CuII complex structure and also does ZnII complex with CoII structure. It was determined that the decomposition products obtained from thermal analysis are the oxides of related metal cations.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1780O – PubChem

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Application of 496-41-3, Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, and a compound is mentioned, 496-41-3, Benzofuran-2-carboxylic acid, introducing its new discovery.

A method for the direct lithiation of terminal alkynes and heterocycles with subsequent carboxylation in a continuous flow format was developed. This method provides carboxylic acids at ambient conditions within less than five seconds with only little excess of the organometallic base and CO2. This journal is the Partner Organisations 2014.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1927O – PubChem

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Application of 496-41-3, Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 496-41-3, molcular formula is C9H6O3, introducing its new discovery.

The title compound 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid (abbreviated as HBFAA) has been synthetized and characterized by FT-IR, FT-Raman and NMR spectroscopic techniques. Solid state crystal structure of HBFAA has been determined by single crystal X-ray diffraction technique. The crystal structure features O-H?O and C-H?O intermolecular interactions resulting in a two dimensional supramolecular architecture. The presence of various intermolecular interactions is well supported by the Hirshfeld surface analysis. The molecular properties of HBFAA were performed by Density functional theory (DFT) using B3LYP/6-311G++(d,p) method at ground state in gas phase, compile these results with experimental values and shows mutual agreement. The vibrational spectral analysis were carried out using FT-IR and FT-Raman spectroscopic techniques and assignment of each vibrational wavenumber made on the basis of potential energy distribution (PED). And also frontier orbital analysis (FMOs), global reactivity descriptors, non-linear optical properties (NLO) and natural bond orbital analysis (NBO) of HBFAA were computed with same method. Efforts were made in order to understand global and local reactivity properties of title compound by calculations of MEP, ALIE, BDE and Fukui function surfaces in gas phase, together with thermodynamic properties. Molecular dynamics simulation and radial distribution functions were also used in order to understand the influence of water to the stability of title compound. Charge transfer between molecules of HBFAA has been investigated thanks to the combination of MD simulations and DFT calculations.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1910O – PubChem

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Reference of 496-41-3, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.496-41-3, Name is Benzofuran-2-carboxylic acid, molecular formula is C9H6O3. In a article,once mentioned of 496-41-3

We describe the synthesis through visible-light photocatalysis of novel functionalized tetracyclic scaffolds that incorporate a fused azabicyclo[3.2.0]heptan-2-one motif, which are structurally interesting cores with potential in natural product synthesis and drug discovery. The synthetic approach involves an intramolecular [2 + 2] cycloaddition with concomitant dearomatization of the heterocycle via an energy transfer process promoted by an iridium-based photosensitizer, to build a complex molecular architecture with at least three stereogenic centers from relatively simple, achiral precursors. These fused azabicyclo[3.2.0]heptan-2-one-based tetracycles were obtained in high yield (generally >99%) and with excellent diastereoselectivity (>99:1). The late-stage derivatization of a bromine-substituted, tetracyclic indoline derivative with alkyl groups, employing a mild Negishi C-C bond forming protocol as a means of increasing structural diversity, provides additional modularity that will enable the delivery of valuable building blocks for medicinal chemistry. Density functional theory calculations were used to compute the T1-S0 free energy gap of the olefin-tethered precursors and also to predict their reactivities based on triplet state energy transfer and transition state energy feasibility.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1775O – PubChem

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Electric Literature of 496-41-3, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.496-41-3, Name is Benzofuran-2-carboxylic acid, molecular formula is C9H6O3. In a Article,once mentioned of 496-41-3

The extension of a previously reported cathepsin K azepanone-based inhibitor template to the design and synthesis of potent and selective inhibitors of the homologous cysteine protease cathepsin L is detailed. Structure-activity studies examining the effect of inhibitor selectivity as a function of the P3 and P2 binding elements of the potent cathepsin K inhibitor 1 revealed that incorporation of either a P3 quinoline-8-carboxamide or a naphthylene-1-carboxamide led to increased selectivity for cathepsin L over cathepsin K. Substitution of the P2 leucine of 1 with either a phenylalanine or a beta-naphthylalanine also resulted in an increased selectivity for cathepsin L over cathepsin K. Molecular modeling studies with the inhibitors docked within the active sites of both cathepsins L and K have rationalized the observed selectivities. Optimization of cathepsin L binding by the combination of the P3 naphthylene-1-carboxamide with the P2 beta-naphthylalanine provided 15, which is a potent, selective, and competitive inhibitor of human cathepsin L with a Ki = 0.43 nM.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1893O – PubChem

Brief introduction of Benzofuran-2-carboxylic acid

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 496-41-3, name is Benzofuran-2-carboxylic acid, introducing its new discovery. Formula: C9H6O3

The invention provides a novel five-membered ring-containing compound which is characterized by being a compound shown in the following structure. The compound can be used as an immune cell migration inhibitor, and the inhibitor has good hydrophilicity and can be developed into eyedrops. The method has strong inhibition capability on the migration of immune cells, and can relieve the symptoms of most xerophthalmia patients. (by machine translation)

We’ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 496-41-3, and how the biochemistry of the body works.Formula: C9H6O3

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1694O – PubChem

New explortion of Benzofuran-2-carboxylic acid

One of the oldest and most widely used commercial enzyme inhibitors is aspirin, COA of Formula: C9H6O3, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 496-41-3

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, COA of Formula: C9H6O3, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 496-41-3, Name is Benzofuran-2-carboxylic acid, molecular formula is C9H6O3

An efficient sequence based on the Ugi-azide reaction and rhodium(III)-catalyzed intermolecular annulation has been established for the preparation of tetrazole-isoquinolone/pyridone hybrids. Several N-acylaminomethyltetrazoles were reacted with arylacetylenes to form the hybrid products in moderate to very good yields. The method relies on the capacity of the rhodium catalyst to promote C(sp2)-H activation in the presence of a suitable directing group. The Ugi-azide reaction provides broad molecular diversity and enables the introduction of the tetrazole moiety, which may further assist the catalytic reaction by coordinating the metal center. The scope of the isoquinolones is very wide and may be extended to the preparation of complex compounds having heterocyclic moieties such as pyridone, furan, thiophene and pyrrole, as well as the corresponding benzo-fused derivatives. The developed procedure is simple, reproducible and does not require inert conditions.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H1915O – PubChem