Category: 123-39-7

Evjen, Sigvart published the artcileDegradative Behavior and Toxicity of Alkylated Imidazoles, Formula: C2H5NO, the main research area is degradation toxicity corrosivity alkylated imidazole solvent carbon dioxide.

The thermal and oxidative degradation behavior and the corrosiveness of imidazole (Im), 2-methylimidazole (2MIm), 2-ethyl-4-methylimidazole (2E4MIm), 2,4,5-trimethylimidazole (2,4,5MIm), and 1,2,4,5-tetramethylimidazole (1,2,4,5MIm) were investigated in a CO2 rich environment. The imidazoles demonstrated high thermal stability in all solutions; however, Im and 2MIm were corrosive. Polyalkylated imidazoles were less stable toward oxidation compared to Im. Rat cell (PC-12) toxicol. screening of Im and 45 alkylated imidazoles showed reduced toxicity for polyalkylated imidazoles compared to Im. Cell viability correlated neg. with cLogP predictions when cLogP > 3. The high rate of oxidative degradation and formation of potentially carcinogenic degradation products will prevent the use of polyalkylated imidazoles in industrial processes directed toward CO2.

Industrial & Engineering Chemistry Research published new progress about Corrosives. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Formula: C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Munoz, Maria M. published the artcileEquilibrium solubility and apparent specific volume at saturation of sodium diclofenac in {formamide (1)/N-methylformamide (1)/or N,N,-dimethylformamide (1) + water (2)} mixtures at 298.2 K, HPLC of Formula: 123-39-7, the main research area is sodium diclofenac cosolvent equilibrium solubility specific volume.

Sodium diclofenac is an analgesic drug commonly used in current therapeutics. Solubility data of this drug in aqueous cosolvent mixtures are not abundant. The main objective of this research was to determine and correlate the equilibrium solubility of sodium diclofenac in some {cosolvent (1) + water (2)} mixtures at 298.2 K. Cosolvents were formamide, N-methylformamide, and N,N-dimethylformamide. Classical shake-flask method was used to determine isothermal solubility Drug concentration measurements were performed by means of elec. conductivity determinations after adequate aqueous dilutions Solubility of sodium diclofenac increases non-linearly with the addition of cosolvent to water in almost all mixtures compositions Higher solubility values were found in {N,N-dimethylformamide (1) + water (2)} mixtures Jouyban-Acree model correlates solubility values with the mixtures composition for all cosolvent systems. Furthermore, the apparent sp. volume of this drug was also calculated from d. and mixtures compositions

Physics and Chemistry of Liquids published new progress about Cosolvents. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, HPLC of Formula: 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Li, Zheng published the artcileEnhancing Metal Separations by Liquid-Liquid Extraction Using Polar Solvents, Name: N-Methylformamide, the main research area is cobalt manganese nickel extraction polar solvent chloride formamide methanol; metal separations; rare earths; solvent effects; solvent extraction; solvometallurgy.

The less polar phase of liquid-liquid extraction systems was studied extensively for improving metal separations; however, the role of the more polar phase was overlooked for far too long. Herein, we investigate the extraction of metals from a variety of polar solvents and demonstrate that, the influence of polar solvents on metal extraction is so significant that extraction of many metals can be largely tuned, and the metal separations can be significantly enhanced by selecting suitable polar solvents. Furthermore, a mechanism on how the polar solvents affect metal extraction is proposed based on comprehensive characterizations. The method of using suitable polar solvents in liquid-liquid extraction paves a new and versatile way to enhance metal separations

Chemistry – A European Journal published new progress about Extraction. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Name: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Yang, Ren-Xuan published the artcileHeterogeneous Metal Azolate Framework-6 (MAF-6) Catalysts with High Zinc Density for Enhanced Polyethylene Terephthalate (PET) Conversion, Category: amides-buliding-blocks, the main research area is heterogeneous metal azolate MAF6 glycolysis catalyst PET.

Polyethylene terephthalate (PET) has been extensively used for the fabrication of various packaging materials, creating million tons of waste per yr. Degrading and recycling PET waste has been identified as a prominent issue. Herein, we demonstrate an effective process to chem. convert PET to bis(2-hydroxyethyl) terephthalate (BHET) through the use of metal azolate framework-6 (MAF-6) as a catalyst in the presence of ethylene glycol. MAFs are a subclass of metal-organic frameworks (MOFs), with MAF-6 comprised of the metal ion Zn2+ and the organic ligand 2-ethylimidazole. We have optimized the reaction temperature, reaction time, and catalyst amount to achieve up to a 92.4% conversion of PET and an 81.7% yield of BHET at 180°C for 4 h. MAF-6 was easily recovered and reused for at least five times. We have also hypothesized a mechanism for the high conversion and yield of the PET glycolysis reaction catalyzed by MAF-6. The use of MAF-6 as a catalyst opens a new route for the postconsumer recycling of PET with remarkable practicality.

ACS Sustainable Chemistry & Engineering published new progress about Glycolysis. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Category: amides-buliding-blocks.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Bilodeau, Camille published the artcileGenerating molecules with optimized aqueous solubility using iterative graph translation, Recommanded Product: N-Methylformamide, the main research area is candidate mol optimization aqueous solubility.

While mol. discovery is critical for solving many scientific problems, the time and resource costs of experiments make it intractable to fully explore chem. space. Here, we present a generative modeling framework that proposes novel mols. that are 1) based on starting candidate structures and 2) optimized with respect to one or more objectives or constraints. We explore how this framework performs in an applied setting by focusing on the problem of optimizing mols. for aqueous solubility, using an exptl. database containing data curated from the literature. The resulting model was capable of improving mols. with a range of starting solubilities. When synthetic feasibility was applied as a secondary optimization constraint (estimated using a combination of synthetic accessibility and retrosynthetic accessibility scores), the model generated synthetically feasible mols. 83.0% of the time (compared with 59.9% of the time without the constraint). To validate model performance exptl., a set of candidate mols. was translated using the model and the solubilities of the candidate and generated mols. were verified exptl. We addnl. validated model performance via exptl. measurements by holding out the top 100 most soluble mols. during training and showing that the model could rediscover 33 of those mols. To determine the sensitivity of model performance to dataset size, we trained the model on different subsets of the initial training dataset. We found that model performance did not decrease significantly when the model was trained on a random 50% subset of the training data but did decrease when the model was trained on subsets containing only less soluble mols. (i.e., the bottom 50%). Overall, this framework serves as a tool for generating optimized, synthetically feasible mols. that can be applied to a range of problems in chem. and chem. engineering.

Reaction Chemistry & Engineering published new progress about Solubility. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Ma, Juan published the artcileMn(II)-Catalyzed N-Acylation of Amines, Application In Synthesis of 123-39-7, the main research area is substituted amide preparation; amide amine acylation manganese catalyst; amine amide formylation manganese catalyst.

A protocol for synthesis of N-substituted amides such as R1R2NC(O)R3 [R1 = C6H5, C6H5CH2, 4-MeOC6H4CH2, etc.; R2 = H, Me, Et; R3 = H, Me, Et] was developed via Mn-catalyzed N-acylation/formylation of amines with high yields using N,N-dimethylformamide and other amides as the carbonyl source. The protocol was simple, does not require any acid, base, ligand or other additives and encompassed a broad substrate scope such as primary, secondary and heterocyclic amines.

Synthesis published new progress about Acylation. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application In Synthesis of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Girase, Pankaj S. published the artcileFacile Synthesis of Amides through Transamidation with Iodine under Neat Conditions, Application In Synthesis of 123-39-7, the main research area is amine amide hydroxylamine hydrochloride iodine catalyst transamidation; amide preparation.

Iodine and NH2OH.HCl mediated transamidation of unactivated amides with a variety of amines under thermal/microwave irradiations was reported. The current strategy was effective for a wide variety of primary, secondary and tertiary amides and allows formylation, acylation and benzoylation of various amines. The primary advantages of the current protocol were simple, rapid, absence of metal catalyst, low-cost starting material as a solvent, and low environmental impact during the synthesis process.

ChemistrySelect published new progress about Acylation. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application In Synthesis of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Tan, Tian published the artcilePrediction of infinite-dilution activity coefficients with neural collaborative filtering, Name: N-Methylformamide, the main research area is prediction infinite dilution activity coefficient neural collaborative filtering.

Accurate prediction of infinite dilution activity coefficient (γ∞) for phase equilibrium and process design is crucial. In this work, an exptl. γ∞ dataset containing 295 solutes and 407 solvents (21,048 points) is obtained through data integrating, cleaning, and filtering. The dataset is arranged as a sparse matrix with solutes and solvents as columns and rows, resp. Neural collaborative filtering (NCF), a modern matrix completion technique based on deep learning, is proposed to fully fill in the γ∞ matrix. Ten-fold cross-validation is performed on the collected dataset to test the effectiveness of the proposed NCF, proving that NCF outperforms the state-of-the-art phys. model and previous machine learning model. The completed γ∞ matrix makes solvent screening and extension of UNIFAC parameters possible. Taking two typical hard-to-sep. systems (benzene/cyclohexane and Me cyclopentane/n-hexane mixtures) as examples, the NCF-developed database provides high-throughput screening for separation systems in terms of solvent selectivity and capacity.

AIChE Journal published new progress about Algorithm. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Name: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Vracko, M. published the artcileComparison of predictions of developmental toxicity for compounds of solvent data set, Application of N-Methylformamide, the main research area is developmental toxicity solvents data set artificial neural network; Developmental toxicity; Kohonen artificial neural network; VEGA HUB CAESAR model; VEGA HUB PG model; solvents.

We have considered a series of 235 compounds tech. classified as solvents. Chem., they belong to different classes. Their potential developmental toxicity was evaluated using two models available on platform VEGA HUB; model CAESAR and the Developmental/ Reproductive Toxicity library (PG) model. Models provide beside the prediction of developmental toxicity addnl. information on similar compounds from models training sets. In the report, first, we compare the predictions. Second, the sets of similar compounds have been used to implement the clustering scheme. The Kohonen artificial neural network method has been applied as a clustering method. The clusters obtained have been discussed for both models.

SAR and QSAR in Environmental Research published new progress about Algorithm. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application of N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Zhang, Deyi published the artcileHalogen Bond Involved Post-Treatment for Improved Performance of Printable Hole-Conductor-Free Mesoscopic Perovskite Solar Cells, Synthetic Route of 123-39-7, the main research area is post treatment mesoscopic perovskite solar cell.

Perovskite solar cells (PSCs) are considered to be the most promising next-generation photovoltaic technol. Among all the configurations of PSCs, the printable hole-conductor-free mesoscopic PSC (p-MPSC) has unique advantages on low cost, large-area fabrication and fabulous stability, which endows it with the greatest potential for industrialization. The interfacial recombination losses, especially at the perovskite/carbon interface, are the bottleneck for further improving the power conversion efficiency (PCE) of p-MPSCs. 2-Bromo-6-fluoronaphthalene is introduced as an interfacial modulator for p-MPSCs through post-treatment. The bromo-terminal acts as an electrophilic site to interact with the iodine ion in perovskite via the noncovalent halogen bond. Meanwhile, the fused ring of naphthalene is capable to accommodate electron d. that is attracted from the perovskite. This interaction induces a more favorable band structure at the interface. The hole extraction is promoted and the interfacial nonradiative recombination is inhibited. Accordingly, a champion p-MPSC with an improved PCE of 16.77% from 15.50% of the pristine device is obtained.

Solar RRL published new progress about Absorption. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Synthetic Route of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics