Month: November 2022

Gundersen, Snefrid published the artcileThe molecular structure, conformation, potential to internal rotation and force field of 2,2-difluoroacetamide as studied by gas electron diffraction and quantum-chemical calculations, Application In Synthesis of 359-38-6, the main research area is difluoroacetamide mol structure conformation potential function DFT MP2 HF.

CHF2CONH2 was studied by electron diffraction (ED), ab initio HF, MP2 and d. functional theory calculations using a 6-311++G** basis set. The calculations give 1 conformation where 1 of the C-F bonds is almost orthogonal to the C-C-O-N skeleton plane and a planar NH2 group except for MP2, which predicts a slightly pyramidal NH2 group. The mol. force field was determined, and the fundamental frequencies were assigned and compared with the limited spectroscopic data available for this mol. The refined structural parameters were determined using constrained ED, i.e., ab initio results are included as constraints in the anal. Uncertainties are 1 standard deviation from least-squares refinement using a diagonal weight matrix and inclusion of the uncertainty in the electron wavelength. The structural parameters are compared with those of related amides. The barrier height at the syn conformation, V0, and the min. of the potential-energy function, φmin, are determined as 2.8(5) kJ mol-1 and 35(1)°, resp., which agree with theor. calculations The barrier height at the anti conformation, V180, was fixed to its calculated value of 20.3 kJ mol-1.

Journal of Molecular Structure published new progress about Conformation. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Application In Synthesis of 359-38-6.

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

Carbonell-Hermida, Paloma published the artcileNecessity of imposing total miscibility for certain binary pairs in LLE data correlations, Recommanded Product: N-Methylformamide, the main research area is certain binary pair LLE data correlation total miscibility.

Liquid-liquid equilibrium (LLE) data correlation of multicomponent mixtures is frequently carried out without using any procedure to ensure that the model parameters obtained for the totally miscible binary mixtures are consistent with such behavior (i.e. they do not lead to two liquid phases in equilibrium). In other words, the behavior of the model beyond the LLE region fitted (exptl. tie-lines) is not usually considered in LLE correlations. It seems to be wrongly assumed that the mere absence of tie-lines data in totally miscible regions should guarantee that the parameters resulting from the LLE correlation lead to total miscibility in such homogeneous regions. We have checked that for the correlation of certain type 1 ternary systems (Treybal classification) a high probability exists of obtaining inconsistent model parameters, which lead to type 2 instead type 1 ternary behavior, unless specific restrictions for such parameters are imposed during the correlation. Com. tools to carry out this type of data fitting, which are frequently included in process simulation packages such as Aspen Plus, do not include the possibility of applying such restrictions and consequently they could provide this type of misleading correlation results with serious consequences in equipment design. In the present paper, LLE data correlation for certain type 1 ternary systems has been carried out using Aspen Plus resulting in inconsistent type 2 results. These same systems have been satisfactorily correlated using our own correlation tools including restrictions to ensure the required miscibility behavior, and thus obtaining consistent parameters. A similar problem could occur in the correlation of the less frequent island (or zero) type ternary systems. Some examples are also presented for such type of systems.

Fluid Phase Equilibria published new progress about Binary stars. 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

Prabsangob, Nopparat published the artcileEffect of tea catechin derivatives on stability of soybean oil/tea seed oil blend and oxidative stability of fried fish crackers during storage, Application of N-Methylformamide, the main research area is soybean seed oil fried fish cracker catechin oxidative stability; (−)-Epicatechin; (−)-Epigallocatechin gallate; Deep frying; Fish crackers; Lipid oxidation; Soybean oil; Tea seed oil.

Effect of (-)-epigallocatechin gallate (EGCG) and (-)-epicatechin (EC) at different concentrations (100-300 ppm) on frying stability of soybean oil blended with tea seed oil was studied. Thermal stability of the blended oil increased with the addition of EGCG and EC, especially with increasing concentrations Frying induced degradation of tocopherols and phenolics of oils, particularly tocopherols. Incorporation of catechin derivatives could retard tocopherol decomposition and formation of polar materials. The highest frying stability was found for the oil added with EC at 300 ppm. When the oil added with EC (300 ppm) was used to prepare fish crackers, lowered lipid oxidation of the resulting crackers than those prepared using the control oil was noted throughout 12 wk of storage. EC could be effectively used as natural antioxidant in frying oil with carry through effect to enhance oxidation stability of the fried foods during a storage.

Food Science and Biotechnology published new progress about Autoxidation. 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

Li, Qigang published the artcileCopper-Catalyzed Enantioselective Ring-Opening of Cyclic Diaryliodoniums and O-Alkylhydroxylamines, Application of (S)-2-Methylpropane-2-sulfinamide, the main research area is cyclic diaryliodonium alkylhydroxylamine copper catalyst enantioselective ring opening atropisomer; hydroxyamino iodobiaryl stereoselective preparation.

A preparation of 2-hydroxyamino-2′-iodobiaryls via the Cu-catalyzed enantioselective ring-opening reaction of cyclic diaryliodonium salts with O-alkylhydroxylamines is reported. 3,5-Di(tert-butyl)phenyl bis(oxazoline) was found to be the optimal ligand, and up to 99% ee values were achieved. The use of CaO as the base dramatically improved the yields and inhibited the side reactions. Finally, synthetic applications of these hydroxylamines were briefly demonstrated.

Organic Letters published new progress about Atropisomers. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Application of (S)-2-Methylpropane-2-sulfinamide.

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

Mayhoub, Abdelrahman S. published the artcileOptimizing thiadiazole analogues of resveratrol versus three chemopreventive targets, Synthetic Route of 1208077-46-6, the main research area is resveratrol thiadiazole analog preparation antitumor aromatase NFkappaB QR1.

Chemoprevention is an approach to decrease cancer morbidity and mortality through inhibition of carcinogenesis and prevention of disease progression. Although the trans stilbene derivative resveratrol has chemopreventive properties, its action is compromised by weak non-specific effects on many biol. targets. Replacement of the stilbene ethylenic bridge of resveratrol with a 1,2,4-thiadiazole heterocycle and modification of the substituents on the two aromatic rings afforded potential chemopreventive agents with enhanced potencies and selectivities when evaluated as inhibitors of aromatase and NF-κB and inducers of quinone reductase 1 (QR1).

Bioorganic & Medicinal Chemistry published new progress about Antioxidants. 1208077-46-6 belongs to class amides-buliding-blocks, name is 4-Butylthiobenzamide, and the molecular formula is C11H15NS, Synthetic Route of 1208077-46-6.

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

Bukenov, Bauyrzhan published the artcileQuantification of transformation products of rocket fuel unsymmetrical dimethylhydrazine in air using solid-phase microextraction, Name: N-Methylformamide, the main research area is transformation product rocket fuel unsym dimethylhydrazine air; solid phase microextraction; air sampling; solid-phase microextraction; transformation products; unsymmetrical dimethylhydrazines.

Quantification of unsym. dimethylhydrazine transformation products in ambient air is important for assessing the environmental impact of heavy rocket launches. There are little data of such analyses, which is mainly caused by the low number of analytes covered by the available anal. methods and their complexity. A simple and cost-efficient method for accurate simultaneous determination of seven unsym. dimethylhydrazine transformation products in air using solid-phase microextraction followed by gas chromatog.-mass spectrometry was developed. The method was optimized for air sampling and solid-phase microextraction from 20-mL vials, which allows full automation of anal. The extraction for 5 min by Carboxen/polydimethylsiloxane fiber from amber vials and desorption for 3 min provided the greatest analytes’ responses, lowest relative standard deviations, linear calibration (R2 ≥ 0.99), and limits of detection from 0.12 to 0.5μg/m3. Samples with concentrations 500μg/m3 can be stored at 21 ± 1° without substantial losses (1-11%) for up to 24 h, while air samples with concentrations 10 and 50μg/m3 stored for up to 24 h can be used for accurate quantification of only two and four out of seven analytes, resp. The developed method was successfully tested for the anal. of air above real soil samples contaminated with unsym. dimethylhydrazine rocket fuel.

Journal of Separation Science published new progress about Air analysis. 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

Fu, Yong published the artcilePhotocatalytic degradation of acetochlor by α-Fe2O3 nanoparticles with different morphologies in aqueous solution system, Application of N-Methylformamide, the main research area is iron oxide nanoparticle acetochlor photocatalytic degradation.

Photocatalytic degradation technol. is an important and promising method for complete elimination of toxic organics In this study, the photocatalytic degradation of acetochlor using α-Fe2O3 nanoparticles under H2O2/UV system was studied with UV-Vis spectrophotometer and GC-MS. The degradation rate was investigated on the effects of α-Fe2O3 morphol. and dosage, initial acetochlor concentration, solution pH, and H2O2 dosage. The results showed that photocatalytic degradation efficiency could reach 91% by α-Fe2O3 with 200 mg/L hollow morphol. at an initial acetochlor concentration, pH value, and H2O2 dosage of 50 mg/L, 7 and 40 μL, resp. The photocatalytic reaction mechanism and degradation process of acetochlor by α-Fe2O3 were investigated and the degradation pathway of acetochlor was proposed. The oxidative attack involves N-C bond connecting the aromatic ring with side chain, the nitrogen-containing side chain, chlorinated aliphatic to produce 1-methyl-3-ving-benzene, allyl-methyl-amine and 1-chloro-2-ethoxy-ethane. These intermediate products could be further oxidized to NO-3, CO2 and H2O. These findings provide new insights for the photocatalytic degradation of organic pollutants in the using α-Fe2O3 nanoparticles to achieve pollutant degradation

Optik (Munich, Germany) published new progress about Nanoparticles. 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

Fischer, Rachel published the artcileAbraham model correlations for solute transfer into benzyl alcohol from both water and the gas phase, COA of Formula: C2H5NO, the main research area is organic compound solubility benzyl alcoho Abraham model.

Exptl. solubilities have been determined for anthracene, benzil, 2-chloroanthraquinone, 9-fluorenone, 2-hydroxybenzoic acid, 2-methoxybenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid, phenothiazine, pyrene, and thioxanthen-9-one dissolved in benzyl alc. at 298.15 K. The measured solubility data, combined with previously published activity coefficient and solubility data, are used to determine Abraham model correlations for solute transfer to benzyl alc. from both water and from the gas phase. The derived Abraham model correlations were found to back-calculate the exptl. partition coefficients and solubility ratios to within 0.14 log units (or less).

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

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

Matsunaga, Hiroki published the artcileThermal behavior of ammonium dinitramide and amine nitrate mixtures, Product Details of C2H5NO, the main research area is ammonium dinitramide amine nitrate thermal decomposition review.

This paper focuses on the thermal behavior of mixtures of ammonium dinitramide (ADN) and amine nitrates. Because some mixtures of ADN and amine nitrate exhibit low m.ps. and high-energy content, they represent potential liquid propellants for spacecraft. This study focused on the melting behavior and thermal-decomposition mechanisms in the condensed phase of ADN/amine nitrate mixtures during heating. We measured the m.p. and exothermal behavior during constant-rate heating using differential scanning calorimetry and performed thermogravimetry-DTA-mass spectrometry (TG-DTA-MS) to analyze the thermal behavior and evolved gases of ADN/amine nitrate mixtures during simultaneous heating to investigate their reaction mechanisms. Results showed that the m.p. of ADN was significantly lowered upon the addition of amine nitrate with relatively low mol. volume and low m.p. TG-DTA-MS results showed that the onset temperature of the thermal decomposition of ADN/amine nitrates was similar to that of pure ADN. Furthermore, during thermal decomposition in the condensed phase, ADN produced highly acidic products that promoted exothermic reactions, and we observed the nitration and nitrosation of amines from the dissociation of amine nitrates.

Journal of Thermal Analysis and Calorimetry published new progress about Melting point. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Product Details of C2H5NO.

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

Altomare, C. published the artcileLipophilicity measurements of benzenesulfonamide inhibitors of carbonic anhydrase by reversed-phase HPLC, Computed Properties of 35203-88-4, the main research area is lipophilicity benzenesulfonamide HPLC; carbonic anhydrase inhibitor benzenesulfonamide QSAR.

The lipophilicity of 33 meta and para substituted benzenesulfonamides was studied by reversed-phase HPLC using MeOH-H2O or MeCO-H2O as the mobile phases and μ Bondapak C18 as the stationary phase. A linear relation between the capacity factor (log k’) and the volume fraction of the organic modifier (θ) was established for each solute. The extrapolation of the retention to φ = 0 (0% of organic modifier) 0% organic modifier) permitted the elimination of any selective and specific effects of organic modifier, to calculate log kw and finally to derive τw for each substituent. The Hansch’s π hydrophobic parameter was linearly correlated to τw (r = 0.953), but no improvement in the correlation equation was observed when τw values obtained by adding silanol masking amines to the mobile phase were used. By introducing an indicator variable which takes into account the possibility of the substituent to make hydrogen bonding, a slight but significant improvement was instead observed The replacement of π with τw in the regression equation obtained in a recent QSAR study on carbonic anhydrase inhibition by benzenesulfonamide gives rise to a correlation equation with comparable statistical significance.

International Journal of Pharmaceutics published new progress about Lipophilicity. 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Computed Properties of 35203-88-4.

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