Category: 123-06-8

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Study of surface heterogeneity and nitrogen functionalizing of biochars: Molecular modeling approach

The functionality of biochar surfaces depends on the nature of the feedstock, pyrolysis temperature, and residence time. In this study, molecular modeling was used to determine the types of functionalization that could enhance adsorption and to pre-screen the target adsorbate for the sake of minimizing experimental time. The impact of a single functional group and interaction between them (including nitrile, methyl, ether, furan, carboxyl, hydroxyl, amine, and amide) on the adsorption of target adsorbate onto biochar was investigated. Among biochars inherent functional groups simulated, the lowest energy of adsorption (highest adsorption) occurred with carboxyl and hydroxyl for CO2 adsorption due to hydrogen bonding. The simulations showed adding amine/amide functional groups to the biochar surface enhanced CO2 adsorption, because of stronger bonding. The simulation results were compared against experimental results and the thermodynamic properties were satisfactorily matched. The overall heat of adsorption of H2S was lower than CO2, but the average Gibbs free energy was approximately the same, indicating CO2 could replace H2S in initial screening adsorption experiments for this type of biochar, reducing costs, risk and toxicity concerns of using H2S. This is an example of potentially how the models can be used to better design experiments. (C) 2020 Elsevier Ltd. All rights reserved.

If you are hungry for even more, make sure to check my other article about 123-06-8, Recommanded Product: 123-06-8.

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. 123-06-8, Name is Ethoxymethylenemalononitrile, formurla is C6H6N2O. In a document, author is Benedikter, Mathis J., introducing its new discovery. Formula: C6H6N2O.

Cationic Group VI Metal Imido Alkylidene N-Heterocyclic Carbene Nitrile Complexes: Bench-Stable, Functional-Group-Tolerant Olefin Metathesis Catalysts

Despite their excellent selectivities and activities, Mo-and W-based catalysts for olefin metathesis have not gained the same widespread use as Ru-based systems, mainly due to their inherent air sensitivity. Herein, we describe the synthesis of air-stable cationic-at-metal molybdenum and tungsten imido alkylidene NHC nitrile complexes. They catalyze olefin metathesis reactions of substrates containing functional groups such as (thio-) esters, (thio-) ethers and alcohols without the need for prior activation, for example, by a Lewis acid. The presence of a nitrile ligand was found to be essential for their stability towards air, while no decrease in activity and productivity could be observed upon coordination of a nitrile. Variations of the imido and anionic ligand revealed that alkoxide complexes with electron-withdrawing imido ligands offer the highest reactivities and excellent stability compared to analogous triflate and halide complexes.

If you are hungry for even more, make sure to check my other article about 123-06-8, Formula: C6H6N2O.

In an article, author is Ivanov, Konstantin L., once mentioned the application of 123-06-8, COA of Formula: C6H6N2O, Name is Ethoxymethylenemalononitrile, molecular formula is C6H6N2O, molecular weight is 122.1246, MDL number is MFCD00001854, category is nitriles-buliding-blocks. Now introduce a scientific discovery about this category.

One-Pot Synthesis of gamma-Azidobutyronitriles and Their Intramolecular Cycloadditions

Efficient gram-scale, one-pot approaches to azidocyanobutyrates and their amidated or decarboxylated derivatives have been developed, starting from commercially available aldehydes and cyanoacetates. These techniques combine (1) Knoevenagel condensation, (2) Corey-Chaykovsky cyclopropanation and (3) nucleophilic ring opening of donor-acceptor cyclopropanes with the azide ion, as well as (4) Krapcho decarboxylation or (4 ‘) amidation. The synthetic utility of the resulting gamma-azidonitriles was demonstrated by their transformation into tetrazoles via intramolecular (3+2)-cycloaddition. A condition-dependent activation effect of the alpha-substituent was revealed in that case. Thermally activated azide-nitrile interaction did not differentiate the presence of an alpha-electron-withdrawing substituent in gamma-azidonitriles, whereas the Lewis acid mediated (SnCl(4)or TiCl4) reaction proceeded much easier for azidocyanobutyrates. This allowed us to develop an efficient procedure for converting azidocyanobutyrates into the corresponding tetrazoles.

If you are interested in 123-06-8, you can contact me at any time and look forward to more communication. COA of Formula: C6H6N2O.

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. 123-06-8, Name is Ethoxymethylenemalononitrile, formurla is C6H6N2O. In a document, author is Wei, Xiaoou, introducing its new discovery. SDS of cas: 123-06-8.

A nitrile-mediated SERS aptasensor coupled with magnetic separation for optical interference-free detection of atrazine

A novel aptasensor based on the combination of surface-enhanced Raman scattering (SERS) and magnetic separation is presented for sensitive and selective determination of atrazine. 4-(Mercaptomethyl) benzonitrile (MMBN), providing a prominent peak (2227 cm(-1)) in the Raman-silent spectral window (1800-2800 cm(-1)), is selected as Raman tag to eliminate optical interference from biomolecules in sensing system. The MMBN and atrazine-binding aptamer are assembled on silver nanoparticles (AgNPs) to serve as Raman probe (MMBN-AgNPs-aptamer). Meanwhile, Fe3O4@Au core/shell nanoparticles conjugated with the complementary DNA (Fe3O4@Au-cDNA) are prepared as Raman substrate to extract the Raman probe with magnetic separation. Atrazine specifically binds to aptamer, and hinders the formation of Fe3O4@Au-cDNA-aptamer-AgNPs-MMBN (expressed as Fe3O4@Au-AgNPs) complex. Therefore, the Raman intensity of MMBN on substrate decreases with the increment of atrazine concentration. Under optimal SERS conditions, the proposed aptasensor is used to detect atrazine in the laboratory and real samples. The as-prepared atrazine sensor demonstrates a broad dynamic range of 1-50 nM, as well as a low detection limit of 0.67 nM (S/N = 3). For real sample test, the recovery rate ranges from 98.7%-106.6%. The fabricated aptasensor shows superior interference-free performance for atrazine determination in the presence of analogs at high levels.

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Electric Literature of 123-06-8, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 123-06-8, Name is Ethoxymethylenemalononitrile, SMILES is N#C/C(C#N)=C/OCC, belongs to nitriles-buliding-blocks compound. In a article, author is Ludwig, Jannis, introduce new discover of the category.

Synthesis of 4-substituted azopyridine-functionalized Ni(II)-porphyrins as molecular spin switches

We present the synthesis and the spin switching efficiencies of Ni(II)-porphyrins substituted with azopyridines as covalently attached photoswitchable ligands. The molecules are designed in such a way that the azopyridines coordinate to the Ni ion if the azo unit is in cis configuration. For steric reasons no intramolecular coordination is possible if the azopyridine unit adopts the trans configuration. Photoisomerization of the azo unit between cis and trans is achieved upon irradiation with 505 nm (trans -> cis) and 435 nm (cis -> trans). Concurrently with the isomerization and coordination/decoordination, the spin state of the Ni ion switches between singlet (low-spin) and triplet (high-spin). Previous studies have shown that the spin switching efficiency is strongly dependent on the solvent and on the substituent at the 4-position of the pyridine unit. We now introduced thiol, disulfide, thioethers, nitrile and carboxylic acid groups and investigated their spin switching efficiency.

Electric Literature of 123-06-8, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 123-06-8 is helpful to your research.

Synthetic Route of 123-06-8, As we all know, there are many different methods for the synthesis of a compound, and people can choose the synthesis method that suits their own laboratory according to the actual situation. 123-06-8 name is Ethoxymethylenemalononitrile, This compound is widely used in many fields, so it is necessary to find a new synthetic route. The downstream synthesis method of this compound is introduced below.

General procedure: Hydrazine monohydrate (26.7 mul, 0.55 mmol) was added to a solution of (ethoxymethylene)malonic acid derivatives 4a-d (0.50 mmol) in EtOH (0.5 ml), and the solution was subjected to microwave irradiation (4a: 80C, 4b: 150C, 4c,d: 120C; 150W; 10 min). Afterwards, water (0.5 ml), aldehydes 2a-j (0.55 mmol), TFA (7.7 mul, 0.10 mmol) and isocyanides 3a-d (0.55 mmol) were sequentially added to the solution, and the reaction was stirred for 10-60 min at room temperature. The precipitated product was filtered, washed with hexane or diethyl ether (1-3 ml) and dried in vacuo, yielding the corresponding final products 6-41 and 46-51. In case of 42-45, the crude reaction mixtures were purified by flash chromatography with hexane-EtOAc as eluent.

At the same time, in my other blogs, there are other synthetic methods of this type of compound, Ethoxymethylenemalononitrile, and friends who are interested can also refer to it.

Reference:
Article; Demjn, Andrs; Gyuris, Mri; Woelfling, Jnos; Pusks, Lszl G.; Kanizsai, Ivn; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 2338 – 2344;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Electric Literature of 123-06-8, These common heterocyclic compound, 123-06-8, name is Ethoxymethylenemalononitrile, 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 mixture of Et3N (1.39 mL, 10 mmol) and cyclohexylhydrazine hydrochloride (1.51 g, 10 mmol) in EtOH (35 mL) was added ethoxymethylenemalononitrile (1.22 g, 10 mmol) portion wise. The reaction mixture was heated at reflux for 5 h, then cooled to room temperature and concentrated in vacuo. The residue was taken up in EtOAc (50 mL) and washed with water (2 x 25 mL). The organic phase was dried over Mg504, filtered and concentrated in vacuo to return 5-amino-1-cyclohexyl-pyrazole-4-carbonitrile (1.95 g, 103%) as an orange solid which was used without further purification. 1H NMR (300 MHz, CDCI3) O 7.49 (5, 1H), 4.45 (5, 2H), 3.77 (tt, =J= 11.2, 4.2 Hz, 1H), 1.88 (ddt, =J= 17.4, 11.4, 5.4 Hz, 6H), 1.83-1.65 (m, 1H), 1.49-1.32 (m, 1H), 1.38-1.15 (m, 2H).

The synthetic route of 123-06-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; CANCER RESEARCH TECHNOLOGY LIMITED; JORDAN, Allan; NEWTON, Rebecca; (145 pag.)WO2017/178845; (2017); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 123-06-8 as follows. 123-06-8

To a solution of ethoxymethylenemalonodinitrile (S) (80 mmol) in benzene is added hydrazine (150 mmol). The reaction is stirred at reflux for 1 hr, diluted into ethyl acetate, washed with sodium bicarbonate solution and concentrated under vacuum, to provide T.

According to the analysis of related databases, 123-06-8, the application of this compound in the production field has become more and more popular.

Reference:
Patent; CONCERT PHARMACEUTICALS INC.; WO2008/5471; (2008); A2;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 123-06-8 as follows. 123-06-8

In tert-butylhydrazine hydrochloride (8.67 g, 69.6 mmol)Was added triethylamine (9.7 mL, 69.6 mmol)After adding anhydrous ethanol (460 mL), the mixture was stirred and dissolved at room temperature,Ethoxymethylenemalononitrile (8.5 g, 69.6 mmol) was added in small portions.After heating the solution to reflux for 3 hours,After cooling, the solvent was evaporated to give an orange solid.And extracted with ethyl acetate (0.5 L) and water (0.25 L)After drying by adding magnesium sulfate,The organic layer was evaporated to give an orange-yellow solid.The resulting solid was continuously washed with a 10% ethyl acetate in cyclohexane solution to give a crystalline solid5-amino-1-tert-butyl hydrogen – pyrazol-4-cyano 9.54g(Yield: 83%).

According to the analysis of related databases, 123-06-8, the application of this compound in the production field has become more and more popular.

Reference:
Patent; West China Hospital, Sichuan University; He, Yang; Li, Weimin; Zhang, Li; (20 pag.)CN106008527; (2016); A;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

As we all know, there are many different methods for the synthesis of a compound, and people can choose the synthesis method that suits their own laboratory according to the actual situation. 123-06-8 name is Ethoxymethylenemalononitrile, This compound is widely used in many fields, so it is necessary to find a new synthetic route. The downstream synthesis method of this compound is introduced below. 123-06-8

To a mixture of commercially available cyclopentylhydrazine hydrochloride(R-i4b) (1.82 g, 18.18 mmol) and commercially available compound 4:(ethoxymethylene)malononitrile (1.34 g, 10.97 mmol) in EtOH (20 mL), was added Et3N (3.03 g, 29.93 mmol) in one portion at r.t. under N2. The mixture was stirred at r.t. for 10 mm. Then heated to 50C and stirred for 2 hrs. The mixture was cooled to r.t. and concentrated in reduced pressure. The residuewas poured into water and the aqueous phase was extracted with EA (50 mL). The combined organic phase was washed with saturated brine (20 mL), dried with anhydrous Na2SO4, filtered and concentrated in vacuum. The residue was purified by silica gel chromatography to afford intermediate I-44b (1 .22 g, 69% yield) as yellow solid. ESI-MS (Mi-i): 177.1 calc. for C9H12N4: 176.1.

At the same time, in my other blogs, there are other synthetic methods of this type of compound, Ethoxymethylenemalononitrile, and friends who are interested can also refer to it.

Reference:
Patent; FUNDACION PARA LA INVESTIGACION MEDICA APLICADA; CUADRADO TEJEDOR, Maria Del Mar; FRANCO FERNANDEZ, Rafael; GARCIA OSTA, Ana Maria; OYARZABAL SANTAMARINA, Julen; RABAL GRACIA, Maria Obdulia; WO2014/131855; (2014); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts