Category: 82830-49-7

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 82830-49-7, Name is 2-Fluoro-1,4-dimethoxybenzene, molecular formula is C8H9FO2, belongs to ethers-buliding-blocks compound. In a document, author is Berenjaghi, Hoda Mousavi, introduce the new discover, Computed Properties of C8H9FO2.

A computational study on the BN and AlN nanocones as anode materials for K-ion batteries

The potential application of BN nanocone (BNNC) and AlN nanocone (AlNNC) as the anode material for the potassium-ion batteries (PIBs) was explored by means of the density functional theory calculations. The K cation adsorbed over the center of the apex ring of BNNC and AlNNC with the adsorption energies of -24.1 and -38.0 kcal/mol, respectively. While the K atom was physically adsorbed with a small adsorption energy. The maximum energy barrier which should be passed by the K cation to migrate over the surface of BNNC and AlNNC is 7.2 and 5.7 kcal/mol, respectively. These values are very small which yield a high ion mobility and quick charge/discharge rate. The minimum diffusion coefficient for K cation on the BNNC or AlNNC is computed to be 9.72 x 10(-8) or 2.89 x 10(-6) cm(2)/s. The cell voltage belonging to BNNC or AlNNC are nearly 0.90 or 1.47 V. We concluded that the AlNNC is a more promising anode material for PIB compared to the BNNC because of its higher voltage, ion mobility, and diffusion coefficient. By using diethyl ether as a solvent, the cell voltage is decreased by about 0.03 and 0.15 V in the case of BNNC and AlNNC, respectively.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 82830-49-7. Computed Properties of C8H9FO2.

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Product Details of 82830-49-782830-49-7, Name is 2-Fluoro-1,4-dimethoxybenzene, SMILES is COC1=CC=C(OC)C(F)=C1, belongs to ethers-buliding-blocks compound. In a article, author is Guruge, Amali G., introduce new discover of the category.

Aqueous phase behavior of the PEO-containing non-ionic surfactant C12E6: A molecular dynamics simulation study

Hypothesis: Non-ionic surfactants containing polyethylene oxide (PEO) chains are widely used in drug formulations, cosmetics, paints, textiles and detergents. High quality molecular dynamics models for PEO surfactants can give us detailed, atomic-scale information about the behavior of surfactant/water mixtures. Simulations: We used two molecular dynamics force fields (FFs), 2016H66 and 53A6(DBW), to model the simple non-ionic PEO surfactant, hexaoxyethylene dodecyl ether (C12E6). We investigated surfactant/water mixtures that span the phase diagram of starting from randomly distributed arrangements. In some cases, we also started with prebuilt, approximate models. The simulations results were compared with the experimentally observed phase behavior. Findings: Overall, this study shows that the spontaneous self-assembly of PEO non-ionic surfactants into different colloidal structures can be accurately modeled with MD simulations using the 2016H66 FF although transitions to well-formed hexagonal phase are slow. Of the two FFs investigated, the 2016H66 FF better reproduces the experimental phase behavior across all regions of the C12E6/water phase diagram. (C) 2020 Elsevier Inc. All rights reserved.

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 82830-49-7. Product Details of 82830-49-7.

Synthetic Route of 82830-49-7, A common heterocyclic compound, 82830-49-7, name is 2-Fluoro-1,4-dimethoxybenzene, molecular formula is C8H9FO2, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

General procedure: To an oven-dried round-bottom flask with a stir bar were charged with a solution of secondary amines 2 (1.5 mmol) in 1 mLdry THF at room temperature under an argon atmosphere. To thissolution was slowly added 1.2 mL nBuLi (2.5 mol/L in n-hexane,3.0 mmol) via syringe. After stirring at 25 C for 10 min, a solution of fluoroarene 1 (1.0 mmol) in 1mL dry THF was added to the reaction flask. The reaction mixture was stirred for 0.5 h at 25 C, and then quenched with 2 mL saturated aqueous solution of NaCl and extracted with H2O (20 mL) and ethyl acetate (3 20 mL). The organic layer was separated and dried with anhydrous Na2SO4, filtered, and evaporated under vacuum. The crude product was purified by column chromatography on silica gel using a petroleum ether/ethyl acetate mixture as eluent to afford the pure target compounds.

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Reference:
Article; Lin, Yingyin; Li, Meng; Ji, Xinfei; Wu, Jingjing; Cao, Song; Tetrahedron; vol. 73; 11; (2017); p. 1466 – 1472;,
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

These common heterocyclic compound, 82830-49-7, name is 2-Fluoro-1,4-dimethoxybenzene, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. Product Details of 82830-49-7

EXAMPLE FIFTY-SEVEN: Synthesis of Ligand 23 (Figure 17); In a round-bottomed flask nBuLi (10 mmol, 4 rnL of a 2.5 M solution in hexanes) was added drop-wise to a solution of 1 ,4-dimethoxyfluorobenzene (10 mmol, 1.56 g) in THF (120 mL) at -78 0C. The mixture was stirred at -78 0C for a further 30 min, generating solution A. nBuLi (20 mmol, 8 mL of a 2.5 M solution in hexanes) was added drop-wise to a solution of 1-methylindole (20 mmol, 2.62 g, 2.50 mL) in THF (30 mL) at 0 0C. After 2 h at this temperature the mixture was cooled to -78 0C and magnesium bromide (20 mmol, 3.68 g) added and this mixture stirred until the solid dissolved. This solution was then added via cannula to solution A and the mixture maintained at -78 0C for 1 h. The solution was then allowed to warm to room temperature overnight. The solution was then cooled to 0 0C and a solution of iodine (12 mmol, 3.5 g) in THF added via cannula. The mixture was allowed to warm to room temperature and sodium sulfite (saturated aq. solution) added. The mixture was extracted with EtOAc, the organic layer washed (water, then brine), dried and the solvent removed under reduced pressure. The residue was purified in 2 batches by column chromatography on a Biotage SP4 (hexane-EtOAc, 98:2 – 80:20) to give the iodide.

The synthetic route of 2-Fluoro-1,4-dimethoxybenzene has been constantly updated, and we look forward to future research findings.

Reference:
Patent; MASSACHUSETTS INSTITUTE OF TECHNOLOGY; WO2009/76622; (2009); A2;,
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthetic Route of 82830-49-7,Some common heterocyclic compound, 82830-49-7, name is 2-Fluoro-1,4-dimethoxybenzene, molecular formula is C8H9FO2, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

A 10 mL oven-dried Schlenk tube was charged with magnesium (57.6 mg, 2.4 mmol) and anhydrous THF (1.5 mL), 5 drops of diisobutylaluminium hydride (DIBAL) was added and stirred for 5 min to activate magnesium. 3-bromo-2,4,6-triisopropyl-4?-(trifluoromethyl)-1,1?-biphenyl (852 mg, 2 mmol) was added potion-by-potion with vigorous stirring. The tube was capped with a rubber septum and was heated to 70 C. for 2 h (A). In another 10 mL oven-dried Schlenk tube was charged with 2-fluoro-1,4-dimethoxybenzene (156 mg, 1 mmol) and anhydrous THF (3.5 mL). The tube was cooled to -78 C. and 1.6 M n-BuLi solution in hexane (0.64 mL, 1 mmol) was added dropwise over 10 min under vigorous stirring. The mixture was stirred at -78 C. for 40 min (B). A was transferred into to B by syringe over 15 min at -78 C. An additional 1 mL of THF was used to rinse the reaction and was also transferred to B. The combined reaction mixture was stirred at -78 C. for another 1 h and then slowly warmed to room temperature and vigorously stirred for overnight. At this time, the mixture was cooled to 0 C. using ice bath, and iodine (762 mg, 3 mmol) in 4 mL anhydrous THF was added drop-wise over 5 min, then the reaction mixture was stirred for 30 min, and then warmed to stir at room temperature for 2 h. Then, the mixture was quenched with saturated Na2S2O3 (aq.) solution until the red color of bromine disappeared. The aqueous phase was extracted with Et2O (10 mL¡Á3) and the combined organic phases were dried over anhydrous MgSO4. After concentration, the crude product was purified by silica gel chromatography (EtOAc/petroleum ether=1/20) followed by crystallization in methanol to get a white solid (226 mg, 37%), labeled as 25MeOTIP-I. 1H NMR (600 MHz, Chloroform-d) delta 7.66-7.61 (m, 3H), 7.46-7.39 (m, 2H), 7.23 (s, 1H), 6.90 (d, J=8.9 Hz, 1H), 6.82 (d, J=8.9 Hz, 1H), 3.91 (s, 3H), 3.71 (s, 3H), 2.65 (p, J=7.2 Hz, 1H), 2.37 (dp, J=25.3, 6.9 Hz, 2H), 1.23 (d, J=6.8 Hz, 3H), 1.11 (dd, J=10.3, 6.9 Hz, 6H), 1.04 (d, J=6.9 Hz, 3H), 0.80 (d, J=7.2 Hz, 3H), 0.71 (d, J=7.2 Hz, 3H) ppm. 13C NMR (151 MHz, Chloroform-d) delta 152.40 (d, J=40.7 Hz), 147.01, 146.10, 145.85, 141.68, 137.11 (d, J=48.9 Hz), 136.32, 132.12, 131.30, 128.68 (d, J=32.3 Hz), 124.02, 119.94, 110.00, 109.30, 56.81, 55.31, 32.51, 30.93, 29.72, 24.61 (d, J=4.2 Hz), 24.00, 23.69, 22.94 (d, J=12.1 Hz) ppm. 19F NMR (376 MHz, CDCl3) delta=-62.15 ppm.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 2-Fluoro-1,4-dimethoxybenzene, its application will become more common.

Reference:
Patent; Agency for Science, Technology and Research; Johannes, Charles W.; Robins, Edward G.; Jong, Howard; Lim, Yee Hwee; Chia, Saei Weng; Yang, Yong; Podichetty, Anil; (84 pag.)US2016/207034; (2016); A1;,
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Application of 82830-49-7,Some common heterocyclic compound, 82830-49-7, name is 2-Fluoro-1,4-dimethoxybenzene, molecular formula is C8H9FO2, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

2-fluoro-3,6-dimethoxybenzaldehydeInto a 500-mL 3-necked round-bottom flask, was placed a solution of 2-fluoro-1,4-dimethoxybenzene (9.4 g, 60.20 mmol, 1.00 equiv) in THF (200 mL). The solution was stirred at -78 C. with stirring, to which was added a solution of n-BuLi/hexane (26.5 mL, 66.3 mmol, 1.10 equiv) dropwise with stirring at -78 C. The resulted solution was stirred for 1 h at -78 C. Then to it was added a solution of N,N-dimethylformamide (8.80 g, 120.40 mmol, 2.00 equiv) in tetrahydrofuran (20 mL) dropwise with stirring at -78 C. After the addition, the reaction solution was allowed to warm up to room temperature and stirred for 2 h. The reaction was quenched by the addition of 100 mL of water. The reaction mixture was extracted with 400 mL of ethyl acetate. The organic layers were combined, washed with 100 mL of brine, dried over anhydrous sodium sulfate and concentrated under vacuum. This resulted in 12.0 g (crude) of 2-fluoro-3,6-dimethoxybenzaldehyde as a yellow solid. LC-MS (ESI) m/z: found for C9H9FO3: 185 [M+H]+.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 2-Fluoro-1,4-dimethoxybenzene, its application will become more common.

Reference:
Patent; Global Blood Therapeutics, Inc.; Li, Zhe; Xu, Qing; Yu, Chul; Yee, Calvin; Gwaltney,, II, Stephen L.; Metcalf, Brian W.; Richards, Steven; Lardy, Matthew A.; Setti, Lina; Sham, Hing; US2015/315198; (2015); A1;,
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Electric Literature of 82830-49-7, These common heterocyclic compound, 82830-49-7, name is 2-Fluoro-1,4-dimethoxybenzene, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

To a -78 0C solution of 1,4-dimethoxy-2-fluorobenzene (1.56 g, 10 mmol) in THF (15 mL) was added n-BuLi (5.0 mL of 2.5 M hexanes solution, 12 mmol). The mixture was stirred for 30 minutes before slow . addition of acetaldehyde (0.79 mL, 14 mmol). The reaction mixture was stirred for an additional 30 minutes before the reaction was quenched by addition of methanol and saturated aqueous NH4CI. The reaction mixture was warmed to room temperature and extracted with EtOAc. The organic extract was concentrated and purified by Biotage chromatography (40 S column, 15% acetone/heptane) to afford 1- (2-fluro-3,6-dimethoxyphenyl)ethanol (1.57 g, 79%).To an ice cooled solution of 1-(2-fluoro-3,6-dimethoxyphenyl)ethanol (1.57 g, 7.84 mmol) in acetone _C23_inL)jw.as_sloMy-^jd^d_JLQDes r_eagej3tjpj?p_aj_ed_by addition ofjLdeltaJ. Q CrO3InJ .6 mL of concentrated H2SO4 to 4.7 mL of ice cold water). The mixture was stirred for 30 minutes before the cooling bath was removed and addition of isopropanol (2 mL). The resultant green precipitate was removed by filtration through djatomaceous earth, and the diatomaceous earth was washed with ethyl acetate (“EtOAc”). The filtrate was concentrated and redissolved in EtOAc, washed with saturated aqueous NaHCO3, saturated aqueous NaCI, concentrated, and purified by Biotage chromatography (40 S column, 8% acetone/heptane) to provide the title compound as a yellow oil (1.06 g, 68%).

Statistics shows that 2-Fluoro-1,4-dimethoxybenzene is playing an increasingly important role. we look forward to future research findings about 82830-49-7.

Reference:
Patent; PFIZER PRODUCTS INC.; WO2008/65508; (2008); A1;,
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem