Heterocyclic Building Block-benzofuran

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Hydrogen-atom transfer reactions from ortho-alkoxy-substituted phenols:An experimental approach

The role of intramolecular hydrogen bonding (HB) on the bond-dissociation enthalpy (BDE) of the phenolic O-H and on the kinetics of H-atom transfer to peroxyl radicals (kinb) of several 2-alkoxyphenols was experimentally quantified by the EPR equilibration technique and by inhibited autoxidation studies. These compounds can be regarded as useful models for studying the H-atom abstraction from 2-OR phenols, such as many lignans, reduced coenzyme Q and curcumin. The effects of the various substituents on the BDE(O H) of 2-methoxy, 2-methoxy-4-methyl, 2,4-di-methoxyphenols versus phenol were measured in benzene solution as -1.8; -3.7; – 5.4 kcalmol-1, respectively. In the case of polymethoxyphenols, significant deviations from the BDE(OH) values predicted by the additive effects of the substituents were found. The logarithms of the kinh constants in cumene were inversely related to the BDE(O-H) values, obeying a linear Evans-Polanyi plot with the same slope of other substituted phenols and a y-axis intercept slightly smaller than that of 2,6-dimethyl phenols. In the cases of phenols having the 2-OR sub-stituent included in a five-membered condensed ring (i.e, compounds 9-11), 11both conformational isomers in which the OH group points toward or away from the oxygen in position 2 were detected by FTIR spectroscopy and the intramolecular HB strength was thus estimated. The contribution to the BDE(O-H) of the ortho-OR substitu-ent in 9, corrected for intramolecular HB formation, was calculated as -5.6 kcal mol-1. The similar behaviour of cyclic and non-cyclic ortho-alkoxy derivatives clearly showed that the preferred conformation of the OMe group in ortho-methoxyphenoxyl radicals is that in which the methyl group points away from the phenoxyl oxygen, in contrast to the geometries predicted by DFT calculations.

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Benzofuran – Wikipedia,
Benzofuran | C8H2335O – PubChem

Synthetic Route of 58546-89-7, 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, 58546-89-7, Benzofuran-5-amine, introducing its new discovery.

Phthalazinone inhibitors of inosine-5?-monophosphate dehydrogenase from Cryptosporidium parvum

Cryptosporidium parvum (Cp) is a potential biowarfare agent and major cause of diarrhea and malnutrition. This protozoan parasite relies on inosine 5?-monophosphate dehydrogenase (IMPDH) for the production of guanine nucleotides. A CpIMPDH-selective N-aryl-3,4-dihydro-3-methyl-4-oxo-1- phthalazineacetamide inhibitor was previously identified in a high throughput screening campaign. Herein we report a structure-activity relationship study for the phthalazinone-based series that resulted in the discovery of benzofuranamide analogs that exhibit low nanomolar inhibition of CpIMPDH. In addition, the antiparasitic activity of select analogs in a Toxoplasma gondii model of C. parvum infection is also presented.

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Benzofuran – Wikipedia,
Benzofuran | C8H384O – PubChem

Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments. name: Ethyl benzofuran-2-carboxylate. Introducing a new discovery about 3199-61-9, Name is Ethyl benzofuran-2-carboxylate

New benzothiophene derivatives as dual COX-1/2 and 5-LOX inhibitors: Synthesis, biological evaluation and docking study

Aim: Simultaneous inhibition of 5-LOX/COX may enhance anti-inflammatory effects and reduce side effects. Hence, synthesis of novel dual inhibitors of 5-LOX/COX is an important strategy for treatment of inflammation. Results/methodology: The target compounds were designed to hybridize benzothiophene scaffold or its bioisostere benzofuran with various anti-inflammatory pharmacophore hetercycles through different atoms spacers. Compounds 4a, 4c, 4d, 5b, 7a, showed significant in vitro LOX inhibitory activity higher than that of meclofenamate sodium. Compounds 4b, 4e, 4f, 5a exhibited significant in vitro COX-2 inhibition higher than celecoxib and in vitro LOX inhibitory activity twice that of reference. These compounds elicited significant in vivo anti-inflammatory activities higher than celecoxib in formalin-induced paw edema test. Compound 4e exhibited gastrointestinal safety profile as celecoxib. The results were also consistent with the docking studies. Conclusion: Compound 4e could be considered as structural lead for the development of a new class of anti-inflammatory agents with better safety profile.

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Benzofuran – Wikipedia,
Benzofuran | C8H3013O – PubChem

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Formula: C9H5NO, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 41717-32-2, Name is 1-Benzofuran-2-carbonitrile, molecular formula is C9H5NO

Chloro-oxime derivatives as novel small molecule chaperone amplifiers

Chloro-oxime derivatives were investigated as novel small molecule chaperone amplifiers. Lead optimization led to the discovery of compounds that displayed potent HSF1 activation activity, significant cytoprotection in MG-132 stress, ER stress and PolyQ stress cell models (EC50 < 10 muM). One of the oldest and most widely used commercial enzyme inhibitors is aspirin, Formula: C9H5NO, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 41717-32-2

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Benzofuran – Wikipedia,
Benzofuran | C8H639O – PubChem

Application of 125-20-2, 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 Conference Paper, and a compound is mentioned, 125-20-2, Thymolphthalein, introducing its new discovery.

An automatic system for acidity determination based on sequential injection titration and the monosegmented flow approach

An automatic sequential injection system, combining monosegmented flow analysis, sequential injection analysis and sequential injection titration is proposed for acidity determination. The system enables controllable sample dilution and generation of standards of required concentration in a monosegmented sequential injection manner, sequential injection titration of the prepared solutions, data collecting, and handling. It has been tested on spectrophotometric determination of acetic, citric and phosphoric acids with sodium hydroxide used as a titrant and phenolphthalein or thymolphthalein (in the case of phosphoric acid determination) as indicators. Accuracy better than 4.4% (RE) and repeatability better than 2.9% (RSD) have been obtained. It has been applied to the determination of total acidity in vinegars and various soft drinks. The system provides low sample (less than 0.3 mL) consumption. On average, analysis of a sample takes several minutes.

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Benzofuran – Wikipedia,
Benzofuran | C8H4330O – PubChem

Application of 4687-25-6, 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, 4687-25-6, molcular formula is C9H6O2, introducing its new discovery.

Electronic effects of heterocyclic substituents. Spectroscopical and theoretical (AM1) study in a series of heterocyclic carboxaldehydes

The electronic effects of a series of 18 heterocyclic carboxaldehydes (furans, thiophenes, pyrroles, and pyridines) have been studied by means of the correlation existing between 13C chemical shifts and the carbonylic carbon and calculated total an ? charges (AM1).The implication of this theoretical model to explain polar and resonance contributions to the total electronic effect are discussed.Key words: heterocyclic substituents, electronic effects, 13C NMR, DSP models.

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Benzofuran – Wikipedia,
Benzofuran | C8H1174O – PubChem

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, 64175-51-5, name is 2-(Benzofuran-3-yl)acetic acid, introducing its new discovery. name: 2-(Benzofuran-3-yl)acetic acid

Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of mycobacterium tuberculosis inha

Tuberculosis (TB) is one of the world’s oldest and deadliest diseases, killing a person every 20 s. InhA, the enoyl-ACP reductase from Mycobacterium tuberculosis, is the target of the frontline antitubercular drug isoniazid (INH). Compounds that directly target InhA and do not require activation by mycobacterial catalase peroxidase KatG are promising candidates for treating infections caused by INH resistant strains. The application of the encoded library technology (ELT) to the discovery of direct InhA inhibitors yielded compound 7 endowed with good enzymatic potency but with low antitubercular potency. This work reports the hit identification, the selected strategy for potency optimization, the structure-activity relationships of a hundred analogues synthesized, and the results of the in vivo efficacy studies performed with the lead compound 65.

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Benzofuran – Wikipedia,
Benzofuran | C8H2665O – PubChem

Application of 1552-42-7, 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 Patent, and a compound is mentioned, 1552-42-7, Crystal violet lactone, introducing its new discovery.

Preparation process of phthalide compound

A process for preparing a phthalide compound represented by the formula (1): STR1 wherein R1, R2, R3, R4, R5 and R6 are individually an alkyl group, and R1 and R2, R3 and R4, and R5 and R6 can respectively bond to each other to form a heterocyclic ring together with a nitrogen atom, comprising oxidizing a triphenylmethane compound represented by the formula (2) STR2 wherein R1, R2, R3, R4, R5 and R6 are the same as above, is oxidized in the presence of activated carbon in an aqueous solvent by an oxidizing agent. The process can provide a fast reaction that produces a high purity product with high yield.

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Benzofuran – Wikipedia,
Benzofuran | C8H4141O – PubChem

Reference of 58546-89-7, 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. 58546-89-7, Name is Benzofuran-5-amine, molecular formula is C8H7NO. In a Article£¬once mentioned of 58546-89-7

Simple Nickel Salts for the Amination of (Hetero)aryl Bromides and Iodides with Lithium Bis(trimethylsilyl)amide

Recent developments in the chemistry of C-N bond formation and the synthesis of anilines have allowed for the use of first-row transition metals to catalyze these transformations. Much of the progress in this area has been driven by comprehensive screening for privileged/tailored ligands, which can be costly and not readily available in a research laboratory setting. In this communication we report a protocol in which simple nickel salts catalyze the C-N cross-coupling reaction between (hetero)aryl bromides and iodides with lithium bis(trimethylsilyl)amide without the need for any additive ligand. This method is amenable to low nickel catalyst loadings (1%) as well as gram-scale reactions. Because of the good functional group tolerance and compatibility with heterocyclic moieties, this method is useful for academic laboratory settings where access to tailored ligands and noble-metal catalysts could be challenging.

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Benzofuran – Wikipedia,
Benzofuran | C8H386O – PubChem

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Safety of 4,5-Difluorophthalic Anhydride, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 18959-30-3, Name is 4,5-Difluorophthalic Anhydride, molecular formula is C8H2F2O3

Thermosetting composition, hardened film and electronic component

A thermosetting composition comprising a compound (A) and a compound (B), in which (A) is carboxylic acid ester having at least one group represented by formula (1), and (B) is diamine: wherein, in formula (1), R 1 is alkyl having 1 to 10 carbons, R 2 is independently alkylene having 2 or 3 carbons, and n is an integer from 1 to 3.

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Benzofuran – Wikipedia,
Benzofuran | C8H2908O – PubChem