Category: 591-11-7

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 591-11-7, Name is 5-Methylfuran-2(5H)-one, SMILES is O=C1OC(C)C=C1, belongs to benzofurans compound. In a document, author is Ahamed, J. Irshad, introduce the new discover, Application In Synthesis of 5-Methylfuran-2(5H)-one.

A combined experimental and DFT computations study of novel (E)-3-(benzofuran-2-yl)-2-(thiophen-2-yl)acrylonitrile(TACNBNF): Insight into the synthesis, single crystal XRD, NMR, vibrational spectral analysis, in vitro antioxidant and in silico molecular docking investigation with human peroxiredoxin 5 protein

The synthesized (E)-3-(benzofuran-2-yl)-2-(thiophen-2-yl)acrylonitrile (TACNBNF) crystal compound was characterized using FT-IR, H-1 and C-13 NMR analyses, ESI-mass and photoluminescence studies. Single crystal X-ray diffraction investigations reveal that the molecule is associated with the C (7)-H (7)center dot center dot center dot S (1) donor-acceptor hydrogen bond interaction. The bond angle at C7 gives a strong indication that H7 center dot center dot center dot S1 contact is repulsive. However, the C5-C7-C8 bond angle = 128.8 (2) degrees, is distorted due to strain induced by double bond linkage at C5=C7. The computational work such as optimized geometry by Density functional theory (DFT), FT-IR, Molecular electrostatic potential (MEP), Frontier Molecular orbitals (FMOs), Mulliken’s population analysis, Nonlinear optical effects (NLO), and Natural bond orbitals (NBO) were analyzed with the aid of Gaussian 03 program using basic set B3LYP/6-311++G (d,p). The proton H-1 and carbon C-13 NMR chemical shifts of molecules were simulated by the gauge-independent atomic orbital (GIAO) manner and also compared with experimental H-1 and C-13 NMR results. The in vitro antioxidant study was carried out in DPPH assay ascorbic acid, a standard drug. The in silico molecular docking, ADMET and toxicity studies were performed by Discovery Studio 4.0. (C) 2019 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 591-11-7 is helpful to your research. Application In Synthesis of 5-Methylfuran-2(5H)-one.

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – 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. 591-11-7, Name is 5-Methylfuran-2(5H)-one, formurla is C5H6O2. In a document, author is Kwiecien, Halina, introducing its new discovery. Formula: C5H6O2.

Synthesis and biological evaluation of 3-functionalized 2-phenyl- and 2-alkylbenzo[b]furans as antiproliferative agents against human melanoma cell line

The key function of microtubules and mitotic spindle in cell division make them attractive targets in anticancer therapy. In the present study, functionalized in 3 position 2-phenyl- and 2-alkylbenzo[b]furans were synthesized and evaluated as antitumor agents. Among the synthesized derivatives 13a, 13b and 14 exhibited the most potent antiproliferative activity against human melanoma A375 cell line with IC50 values of 2.85 mu M, 0.86 mu M, 0.09 mu M, respectively. The most promising compound defined was 14 with three methoxy groups in the 3-aroyl substituent and 7-methoxy group in 2-phenylbenzo[b]furan skeleton. Tubulin polymerization assay, confocal microscopy imaging and flow cytometry analysis revealed that 2-phenyl-3-aroylbenzo[b]furans (13a, 13b and 14) inhibited tubulin polymerization leading to disruption of mitotic spindle formation, cell cycle arrest in G2/M phase and apoptosis.

If you are hungry for even more, make sure to check my other article about 591-11-7, Formula: C5H6O2.

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem

591-11-7, Name is 5-Methylfuran-2(5H)-one, molecular formula is C5H6O2, belongs to benzofurans compound, is a common compound. In a patnet, author is van Rensburg, Helena D. Janse, once mentioned the new application about 591-11-7, Category: benzofurans.

Synthesis and evaluation of methoxy substituted 2-benzoyl-1-benzofuran derivatives as lead compounds for the development adenosine A(l) and/or A(2A) receptor antagonists

A series of fourteen methoxy substituted 2-benzoyl-1-benzofuran derivatives were synthesised and their affinities determined for adenosine A(1) and A(2A) receptors via radioligand binding assays to establish the structure activity relationships pertinent for A(1) and A(2A) affinity. Compound 3j (6,7-dimethoxybenzofuran-2-yl)(3-methoxyphenyl) methanone exhibited A(1) affinity (A(1)K(i) (rat) = 6.880 mu M) as well as A(2A) affinity (A(2A)K(i) (rat) = 0.5161 mu M). Compounds 3a-b & 3i-k exhibited selective affinity towards A(1) with K-i values below 10 mu M. The results indicate that C6,7-diOCH(3) substitution on ring A in combination with meta (C3′)-OCH3 substitution on ring B is beneficial for A(1) and A(2A )affinity and activity. Compounds 3a-b & 3j-k showed low cytotoxicity. Upon in vitro and in silico evaluation, compound 3j may be considered lead-like (i.e. a molecular entity suitable for optimization) and, thus, of value in the design of novel, potent and selective adenosine A(1) and A(2A) receptor antagonists.

If you¡¯re interested in learning more about 591-11-7. The above is the message from the blog manager. Category: benzofurans.

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 591-11-7, Name is 5-Methylfuran-2(5H)-one, SMILES is O=C1OC(C)C=C1, belongs to benzofurans compound. In a document, author is Patel, Mrugesh, introduce the new discover, Name: 5-Methylfuran-2(5H)-one.

Metal-free approach for one-pot synthesis of 3-aryl-furo[3,2-c]coumarins

Various 3-aryl-furo[3,2-c]coumarins have been synthesized by reacting various 4-hydroxycoumarins with appropriate bromo-acetyl derivatives of furan, naphthalene and benzofuran under metal-free reaction condition. The effects of substitution, reaction temperature and reaction time for product formation were investigated. All the synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, DEPT-90, Mass spectral and elemental analysis. [GRAPHICS] .

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 591-11-7 is helpful to your research. Name: 5-Methylfuran-2(5H)-one.

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Recommanded Product: 591-11-7591-11-7, Name is 5-Methylfuran-2(5H)-one, SMILES is O=C1OC(C)C=C1, belongs to benzofurans compound. In a article, author is Olesti, Eulalia, introduce new discover of the category.

LC-MS/MS method for the quantification of new psychoactive substances and evaluation of their urinary detection in humans for doping control analysis

The constant legal adaptation of new psychoactive substances (NPS), challenges their evaluation in different fields. In sports, NPS are prohibited in competition with a reporting limit (RL) of 50 ng/mL for the parent compound or a metabolite. However, there is a lack of comprehensive methodologies and excretion studies for monitoring NPS. This work aims to develop an analytical methodology for the NPS quantification and to evaluate the suitability of monitoring the urinary parent stimulants after NPS misuse. A method for the quantification of 14 common NPS was developed and validated. The method was found to be linear in the range 1-1000 ng/mL, and was shown to be accurate and precise. A lowest limit of quantification (LLOQ) of 1 ng/mL was established for all analytes except for benzylpiperazine (5 ng/mL). The method was able to confirm the identity of the analytes at the LLOQ for most NPS. The methodology was applied to the quantification of the parent compound in urine samples collected from an observational study where several healthy volunteers (n >= 6 per drug) ingested active doses of mephedrone (MEPH), methylone (MDMC), 2,5-dimetoxy-4-ethylphenetylamine (2C-E), or 6-(2-aminopropyl)benzofuran (6-APB). It was observed that for MDMC and 6-APB, the quantification of the urinary parent drug at the current RL is a proper strategy for detecting their misuse. However, this strategy seems to be insufficient for evaluating MEPH and 2C-E misuse. Monitoring the most abundant metabolite of MEPH (4 ‘-carboxy-MEPH) and the reduction of the RL to 10 ng/mL for the 2C-E evaluation are proposed.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 591-11-7. Recommanded Product: 591-11-7.

Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem