Archives for Chemistry Experiments of 3188-00-9

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Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 3188-00-9, Name is 2-Methyltetrahydrofuran-3-one, molecular formula is C5H8O2, belongs to tetrahydrofurans compound, is a common compound. In a patnet, author is Kang, Miso, once mentioned the new application about 3188-00-9, Quality Control of 2-Methyltetrahydrofuran-3-one.

Amphiphilic micelle-forming PDMS-PEGBEM comb copolymer self-assembly to tailor the interlamellar nanospaces of defective poly (ethylene oxide) membranes

An amphiphilic comb copolymer was synthesized via free-radical polymerization using two macromonomers: monomethacryloxypropyl-terminated poly(dimethyl siloxane) (PDMS-MA, 10,000 g mol(-1)) and poly(ethylene glycol)-behenyl ether methacrylate (PEGBEM, 1500 g mol(-1)). The PDMS-PEGBEM comb copolymer underwent self-assembly to form micellar structures in ethanol/tetrahydrofuran solvent. The micelle-forming PDMS-PEGBEM copolymer was incorporated into the low-cost, commercially available polymer, and non-selective polymer poly(ethylene oxide) (PEO, 106 g mol-1), resulting in highly selective all-polymeric membranes. The alignment of the PDMS-PEGBEM micelles in the interlamellar region of PEO and the corresponding increase in the domain spacing were observed by transmission electron microscopy and small-angle X-ray scattering, confirming the successful encapsulation of PDMS-PEGBEM in the interlamellar region. The PDMS functions as a rubbery filler between the crystallites, whereas PEGBEM has good affinity towards PEO because of their chemical similarity. The CO2/N-2 and CO2/CH4 selectivities of PEO membranes was significantly enhanced from 0.78 and 0.71 to 41.7 and 13.3, respectively, on the loading of 10 wt.% of the copolymer. The highest CO2 permeability reached 240 barrer at 50 wt.% copolymer loading, with the CO2/N-2 and CO2/CH4 selectivities of 34.6 and 12.2, respectively. Herein, the evolution of the interlamellar nanospaces and dual-phase region, as well as the microstructures of the membranes are reported.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 3188-00-9, Name is 2-Methyltetrahydrofuran-3-one, SMILES is CC1C(CCO1)=O, belongs to tetrahydrofurans compound. In a document, author is Kumaravel, Sakthivel, introduce the new discover, SDS of cas: 3188-00-9.

Catalytic conversion of levulinic acid under noncorrosive conditions using Ru/Zr/Al-SBA-15 catalysts

Herein we report the synthesis of Ru/Zr/Al-SBA-15 catalysts, their characterization by XRD, FT-IR, BET, ICP, FE-SEM, HR-TEM, HAADF-STEM, XPS, TPR, TPD, TGA/DTA and UV-DRS techniques and their catalytic activity towards the hydrogenation of levulinic acid (LA) at ambient H-2 pressure under non-corrosive conditions. As the product 2-Methyl Tetrahydrofuran (2-MTHF) obtained in the hydrogenation of levulinic acid is a promising platform chemical having wide applications in the production of biofuels, fine chemicals and green solvents, this research work carries significance. The characterization studies revealed the presence of Zr species well dispersed on SBA-15 and upto 5% loading of Ru over Zr/Al-SBA-15 preserved the mesoporous structure of bare SBA-15. Among the different catalysts, 5% Ru/Zr/Al-SBA-15 (ISM) exhibited the highest catalytic activity with 97% conversion and 84% selectivity towards MTHF in the hydrogenation of levulinic acid without using any solvent. 5% Ru/Zr/Al-SBA-15 catalyst was also synthesized by other methods such as traditional impregnation method (TIM) and ultrasonication method (USM). 5% Ru/Zr/Al-SBA-15 (ISM) showed different morphologies depending on the preparative methods and their catalytic performances were found to be dependent on the method of synthesis. The recyclability of the best catalyst was tested upto five cycles and there was not much variation in terms of conversion and selectivity.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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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. 3188-00-9, Name is 2-Methyltetrahydrofuran-3-one, molecular formula is C5H8O2. In an article, author is Yuvali, Donay,once mentioned of 3188-00-9, Computed Properties of C5H8O2.

A new liquid phase microextraction method-based reverse micelle for analysis of dexketoprofen in human plasma by HPLC-DAD

A new liquid phase microextraction method was developed by used reverse micelle-based coacervates as microextraction agents for the separation of dexketoprofen (DKT) from human plasma before its determination by high-performance liquid chromatography with photodiode-array detection (HPLC-DAD). The change in the concentration of dexketoprofen in the plasma of the male and female patients was successfully monitored by using this method. The proposed method involves the use of reverse micelles of decanoic acid (DA) are dispersed in tetrahydrofuran (THF) and aqueous system. After addition of the DA and THF to the aqueous sample phase, the formation of micelles of nano and molecular size was observed in an ultrasonic bath. The solution was centrifuged, and the DKT extracted into the DA phase was analyzed by HPLC-DAD. Some analytical parameters that important in the developed procedure were examined in detail. The limit of detection (LOD), the limit of quantification (LOQ), the intraday, and inter day relative standard deviation (RSD, %) of the developed method in the plasma sample were found to be 12.8 ng mL(-1), 38.8 ng mL(-1), 1.7 and 3.9%, respectively. Additional/recovery studies were performed in plasma samples with proposed method, and quantitative recoveries were obtained in the range of 97-100%. The developed microextraction method was applied to human plasma that taken from volunteer patients for the determination of DKT.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

Simple exploration of 2-Methyltetrahydrofuran-3-one

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Nanocrystallization-locked Network of Poly(styrene-b-isobutylene-b-styrene)-g-Polytetrahydrofuran Block Graft Copolymer

Poly(styrene-b-isobutylene-b-styrene) triblock copolymer (SIBS), a kind of thermoplastic elastomer with biocompatibility and biostability containing fully saturated soft segments, could be synthesized via living cationic copolymerization. A novel poly[(styrene-co-methylstyrene)-b-isobutylene-b-(styrene-co-methylstyrene)]-g-polytetrahydrofuran (M-SIBS-g-PTHF) block graft copolymer was prepared to increase the polarity and service temperature of SIBS by grafting polar PTHF segments onto SIBS. A series of the above block graft copolymers with average grafting numbers from 2 to 6 and molecular weights of PTHF branches ranging from 200 g.mol(-1) to 4200 g.mol(-1) were successfully synthesized via living cationic ring-opening polymerization of tetrahydrofuran (THF) coinitiated by AgClO4. The introduction of PTHF branches led to an obvious microphase separation due to thermodynamic incompatibility among the three kinds of segments of polyisobutylene (PIB), polystyrene (PS) and PTHF. Moreover, the microphase separation promotes the rearrangement of PTHF branches to form the nanocrystallization-locked physically cross-linked network after storage at room temperature for 2 months, leading to insolubility of the copolymers even in good solvents. The melting temperature and enthalpy of PTHF nanocrystallization locked in hard domains of M-SIBS-g(5)-PTHF-1.1k block graft copolymer increased remarkably up to 153 degrees C and 117.0 J.g(-1) by 23 degrees C and 11.6 J.g(-1) respectively after storage for long time. Storage modulus (G ‘) is higher than loss modulus (G ”) of M-SIBS-g-PTHF block graft copolymer at temperatures ranging from 100 degrees C to 180 degrees C, which is much higher than those of the SIBS triblock copolymer. To the best of our knowledge, this is the first example of high performance M-SIBS-g-PTHF block graft copolymers containing segments of PIB, PS and PTHF with nanocrystallization-locked architecture.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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Synthetic Route of 3188-00-9, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 3188-00-9, Name is 2-Methyltetrahydrofuran-3-one, SMILES is CC1C(CCO1)=O, belongs to tetrahydrofurans compound. In a article, author is Wang, Jing, introduce new discover of the category.

Highly sensitive pyrene-dansyl conjugate-based fluorescent sensor for discriminative detection of water in organic solvents

In this work, we designed a dual-fluorophore-based water sensor 5-(dimethylamino)- N’-(pyren-1-ylmethylene)naphthalene-1-sulfonohydrazide (PDH) by combining pyrene, which exhibits monomer/excimer switching emission, and dansyl, which shows typical intramolecular charge transfer (ICT) activity. The effects of solvents on PDH and two control compounds were studied. Results showed that PDH exhibited tunable fluorescence properties, and the two fluorescent units of PDH could behave independently and synergistically. Generally, the fluorescent emission of PDH displayed two distinct modes in various solvents. On the one hand, only pyrene emission was observed in N, N-dimethylformamide (DMF), acetonitrile (AN), ethanol (EtOH), dimethyl sulfoxide (DMSO), methanol (MeOH), acetone, and tetrahydrofuran (THF) because these solvents affected the push-pull interactions between dimethyamino moiety and naphthalenesulfonyl and the aggregation behavior. On the other hand, efficient Forster resonance energy transfer (FRET) from the pyrene unit to the dansyl moiety was observed in dichloromethane (CH2Cl2), chloroform (CHCl3), ethyl acetate (EA), toluene, and water (H2O). The fluorescence spectra displayed strong dansyl emission and weak pyrene monomer emission due to the synergy of ICT and FRET. By taking advantage of the monomer/excimer switching, ICT, and FRET activities, the fluorescence tunability of PDH was applied for the differentiation of solvents and discriminative detection of H2O content in three organic solvents, including acetone, DMF, and DMSO.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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In an article, author is Hassanzadeh, Farshid, once mentioned the application of 3188-00-9, Name is 2-Methyltetrahydrofuran-3-one, molecular formula is C5H8O2, molecular weight is 100.1158, MDL number is MFCD00010423, category is tetrahydrofurans. Now introduce a scientific discovery about this category, Category: tetrahydrofurans.

Synthesis, cytotoxic evaluation, and molecular docking studies of some new 1, 3, 4-oxadiazole-based compounds

Background and purpose: Oxadiazole-derived compounds have been shown to have a wide range of pharmacological activities. 2, 5-Disubstituted 1, 3, 4-oxadiazole derivatives have occupied a specific place in the design of anti-proliferative agents. In the present work a series of 2, 5-disubstituted 1, 3, 4-oxadiazoles derivatives containing amide group has been synthesized via a two-step reaction. Experimental approach: A mixture of substituted carboxylic acid derivatives, semicarbazide, and phosphorus oxychloride in reflux condition yielded 2-amino-5-aryl-1, 3, 4-oxadiazole derivatives. Acylation of the amino group of the resultant oxadiazole with 6-chloronicotinoyl chloride in dry tetrahydrofuran/pyridine afforded the final products. The synthesized molecules were docked in the active sites of the epidermal growth factor receptor tyrosine kinase domain (PDB: 1M17) crystal structure to study the possible interactions with the active site. Cytotoxic activities of final products against HeLa and MCF-7 cells were also assessed by MTT assay. Findings/Results: Compounds IIb, IIc, and IIe had a considerable cytotoxic activity with IC50 values of 19.9, 35, and 25.1 mu M, respectively against HeLa cells. The highest docking score was -7.89 kcal/mol for compound IIe. Conclusion and implications: Compound IIe exhibited remarkable cytotoxic activity against the two tested cell lines particularly HeLa cells which was in accordance with the in silico Delta G bind result but further evaluations are necessary to prove these findings.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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Determination and Analysis of Solubility of L-Prolinamide in Ten Pure Solvents and Three Binary Solvent Mixtures at Different Temperatures (T=278.15-323.15 K)

In this study, the data on solid-liquid equilibrium of L-prolinamide were studied using the gravimetric method. The solubility of L-prolinamide was measured in ten pure solvents (tetrahydrofuran, n-heptane, n-propanol, acetone, acetonitrile, ethyl acetate, N,N-dimethylformamide, n-hexane, cyclohexane, and isopropanol) and three binary solvent mixtures(ethyl acetate + tetrahydrofuran, n-heptane + ethyl acetate, and n-hexane + acetone) in the temperature range of 278.15-323.15 K at atmospheric pressure. The experimental values showed that the solubility increased with the increase of temperature in all solvents. The solubility data in different pure solvents were fitted using the modified Apelblat model and the Buchowski-Ksiazaczak lambda h model. For the solubility data of three binary solvent mixtures, the modified Apelblat model, the combined nearly ideal binary solvent/Redlich-Kister (CNIBS/R-K) model, and the Jouyban-Acree model were used to fit. In all four models, the modified Apelblat model had a better correlation with the solubility of L-prolinamide weather in pure solvents or binary solvent mixtures. The experimental results showed that n-heptane and n-hexane could be used as antisolvents, which could be used in the purification process of L-prolinamide and guide the large-scale production of many drugs such as Alpelisib in industries.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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Electrochemical properties of p-terphenyl based lithium solvated electron solutions

Concentrated lithiumsolvated electron solutions (LiSESs) consisting of p-terphenyl (TER) in tetrahydrofuran (THF) prepared using suspensions of TER in THF, exhibit a more than twelve times increase in conductivity compared to more dilute solutions. The temperature dependent conductivity of LiSES has metallic-like characteristics, i.e. linear decrease of conductivity with increasing temperature, except for the solution of higher concentration (less THF) with the ratio of lithium to TER being 2 which conductivity increases as raising temperature due to the higher contribution of ionic conductivity. From temperature dependent open circuit voltage temperature measurement, the values of changes in entropy (Delta S) and enthalpy (Delta H) were determined. Unlike lithium-intercalated graphite, the Delta S decreases linearly as the ratio of lithium to TER increases, which demonstrates fundamental differences in the lithium charging/discharging processes between solution and solid state. The TER based LiSES with higher concentrations (less THF) show deviations from the Delta S and Delta H values of solutions with lower concentrations. The Delta S values for the TER based LiSES are higher than for naphthalene and biphenyl based Li SES having the same composition, but lower than those for solid lithium ion battery anode materials. LiSES with the maximum ratio of lithiumto TER is 2.4 to 1 exhibits minimum conductivity which indicates the formation of a dimeric structure under these conditions. The LiSES provides higher energy density comparing to vanadium redox batteries, which demonstrates that LiSES holds good promise as anolytes in liquid-based refuelable batteries.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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Efficient Depolymerization of Cellulosic Paper Towel Waste Using Organic Carbonate Solvents

Efficient depolymerization of lignocellulosic biomass is a prerequisite for sugar production and its subsequent upgradation to fuels and chemicals. Organic carbonate solvents, i.e., propylene carbonate (PC), ethylene carbonate (EC), and dimethyl carbonate (DMC), which are low in toxicity and biodegradable, were investigated as green co-solvents (PC/H2O, EC/H2O, DMC/H2O, solvent ratio 1:1) for depolymerization of cellulosic paper towel waste. PC/H2O and EC/H2O enhanced the depolymerization of paper towel waste and improved the total sugar yield (up to similar to 25 C mol %) compared to H2O only (up to similar to 11 C mol %) under mild reaction conditions (130 degrees C, 20 min). The higher performance of PC/H2O and EC/H2O can be attributed to higher availability of reactive protons in the catalytic system that facilitates efficient acid hydrolysis of recalcitrant cellulosic fibers. Moreover, a substantial buildup of in-vessel pressure by CO2 release during the microwave-assisted reaction because of decomposition of PC or EC might have accelerated the conversion of paper towel wastes. PC and EC are prospective solvents for lignocellulosic biomass conversion considering their green features and notable catalytic performance, which have a good potential for substituting conventional organic solvents such as dimethyl sulfoxide (DMSO) and tetrahydrofuran (THF) that are often considered hazardous in terms of health, safety, and environmental implications.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem

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Related Products of 3188-00-9, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 3188-00-9, Name is 2-Methyltetrahydrofuran-3-one, SMILES is CC1C(CCO1)=O, belongs to tetrahydrofurans compound. In a article, author is Zhang, Yu, introduce new discover of the category.

Effects of Ligand Substitution on the Optical and Electrochemical Properties of (Pyridinedipyrrolide)zirconium Photosensitizers

A series of seven bis(pyridinedipyrrolide)zirconium complexes, Zr((PDPR2)-P-R1)(2), where [(PDPR2)-P-R1](2-) is the doubly deprotonated form of [2,6-bis(5-R-1-3-R-2-1H-pyrrol-2-yl)pyridine], were prepared and characterized in solution by NMR, UV/vis absorption, and emission spectroscopy and cyclic voltammetry. The molecular structures were determined by single-crystal X-ray crystallography. All complexes exhibit remarkably long emission lifetimes (tau = 190-576 mu s) with high quantum efficiencies (Phi(PL) = 0.10-0.38) upon excitation with visible light in a benzene solution. The substituents on the pyrrolide rings were shown to have significant effects on the photoluminescence and electrochemical properties of these compounds. The R-2 substituents (R-2 = H, Me, Ph, or C6F5) show only limited effects on the absorption and emission profiles of the complexes but allow systematic tuning of the ground- and excited-state redox potentials over a range of almost 600 mV. The R-1 substituents (R-1 = H, Me, Ph, or 2,4,6-Me3Ph) influence both the optical and electrochemical properties through electronic effects. Additionally, the R-1 substituents have profound consequences for the structural flexibility and overall stability of the compounds. Distortions of the Zr(PDP)(2) core from idealized D-2d symmetry in the solid state can be traced to the steric profiles of the R-1 substituents and correlate with the observed Stokes shifts for each compound. The complex with the smallest ligand system, Zr((PDPH)-P-H)(2), coordinates two additional solvent molecules in a tetrahydrofuran (THF) solution, which allowed the isolation of photoluminescent, eight-coordinate Zr((PDPH)-P-H)(2) (THF)(2). The photoredox catalytic dehalogenation of aryl iodides and aryl chlorides using the most reducing derivative, Zr((PDPMe)-P-Me)(2), highlights the potential of Zr(PDP)(2) photosensitizers to promote challenging reductive transformations under mild conditions upon excitation with green light.

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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem