Category: 685-91-6

On January 31, 2020, Canner, Adam J.; Harwood, Laurence M.; Cowell, Joseph; Babra, Jasraj S.; Brown, Solomon F.; Ogden, Mark D. published an article.SDS of cas: 685-91-6 The title of the article was Spectrophotometric Analysis of Ternary Uranyl Systems to Replace Tri-N-butyl Phosphate (TBP) in Used Fuel Reprocessing. And the article contained the following:

In this report, the interaction of monoamide/diamide and monoamide/diglycolamide mixtures with UO2+2 are investigated in pH = 1 methanolic nitric acid media. These monoamides include N,N-dimethylacetamide (DMAA), N,N-diethylacetamide (DEAA), N,N-dibutylacetamide (DBAA) and N,N-dibutylbutanamide (DBBA). N,N,N’N’-tetraethylmalonamide (TEMA) and N,N,N’,N’-tetraethyldiglycolamide (TEDGA), which were chosen as model diamides and diglycolamides, resp. Complex stability constants for each ligand were modeled using the Stability Quotients Using Absorbance Data program using UV-visible data. Complex stoichiometry of ligand mixtures was determined using Job plots and UV-Vis spectrometry. Monoamides were confirmed to produce only disolvate complexes with UO2+2 in solution The log10(K) values for monoamides were found to be independent of amine-side chain length, but were slightly dependent on the carbonyl-side chain length. TEDGA was found to produce multiple uranyl complexes in solution Job plot data indicated that the uranyl cation strongly prefers to bond either only with the monoamide or diamide in ternary monoamide-diamide-UO2 systems. Monoamide-diglycolamide-UO2 systems were more complicated, with Job plot data indicating the potential for multiple ternary species being present is dependent on the monoamide structure. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).SDS of cas: 685-91-6

The Article related to trinbutyl phosphate ternary uranyl system fuel reprocessing, Phase Equilibriums, Chemical Equilibriums, and Solutions: Partition, Extraction and other aspects.SDS of cas: 685-91-6

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

On July 15, 2021, Brown, Trevor N. published an article.Recommanded Product: 685-91-6 The title of the article was Empirical regressions between system parameters and solute descriptors of polyparameter linear free energy relationships (PPLFERs) for predicting solvent-air partitioning. And the article contained the following:

Polyparameter Linear Free Energy Relationships (PPLFERs) are an empirical tool used to predict the equilibrium partitioning of solutes between two phases, referred to as a system. There are exptl. determined solute descriptors for thousands of chems., but there are only on the order of 100 systems with calibrated system parameters, the majority of which are solvents and environmental matrixes in equilibrium with air or water. The goal of this work is to create empirical regressions which use the much more numerous solute descriptors to predict the system parameters of systems which have not yet been calibrated due to a lack of partitioning data. The special case of liquid solvents in equilibrium with air is the focus of this work because this is the case in which the relationship between solute and solvent properties is most clear. First a consistent dataset of PPLFER equations was compiled using partition coefficient data from the literature to recalibrate equations for solvent-air partitioning into the Goss form (Goss, K.-U. 2005) for 89 solvents including water. All 89 solvents have also solute descriptors available in a database curated for this work which describe their behavior as solutes. The pool of descriptors drawn from to create the empirical regressions were the solute descriptors of the solvents normalized to McGowan volume (V), along with interaction parameters between the normalized descriptors. An applicability domain (AD) for the empirical regressions was defined using leverage to measure similarity to the training dataset of solvents, and solvents in the AD typically had lower RMSE for predictions. Some of the empirical regressions for the six system parameters have good predictive power (s, a, b, c) while others are only adequate (v, l). However, when these equations are combined to predict partition coefficients there is a significant cancellation of error and when predicting partition coefficients in an external validation dataset the RMSE is in the range 0.30-0.35. The empirical regressions combined with the PPLFER equations and solvent d. can also be used to predict vapor pressures as an addnl. external validation. Predictions for a dataset of vapor pressures from the literature had an RMSE of 0.26-0.75. Analyzing and comparing the results from these two external validation datasets the RMSE for predicting datasets of partition coefficients for arbitrary solutes in arbitrary systems of solvents in equilibrium with air is estimated to be 0.66 on average The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Recommanded Product: 685-91-6

The Article related to solvent air partitioning regression system parameter solute descriptor pplfer, Phase Equilibriums, Chemical Equilibriums, and Solutions: Partition, Extraction and other aspects.Recommanded Product: 685-91-6

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

On March 31, 2019, Spranitz, Peter; Soregi, Petra; Botlik, Bence Bela; Berta, Mate; Soos, Tibor published an article.Name: N,N-Diethylacetamide The title of the article was Organocatalytic Desymmetrisation of Fittig’s Lactones: Deuterium as a Reporter Tag for Hidden Racemisation. And the article contained the following:

Highly enantioselective desymmetrisation of Fittig’s lactones with alcs. was promoted by bifunctional cinchona squaramides to yield corresponding glutaric acid derivatives I [R = Me, cyclohexyl, Ph, etc.]. The reactions were carried out with monodeuterated methanol to detect possible hidden racemization of the stereogenic center. Current evidence suggested that racemization was not a relevant process for most substrates, partial erosion of enantioselectivity was only detected with ortho-substituted aryl derivates. The resultant glutaric acid derivatives possess a scaffold that was common in natural products and the compounds were also useful chiral building blocks for further synthetic endeavours. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Name: N,N-Diethylacetamide

The Article related to glutaric acid derivative enantioselective preparation, bicyclic fittig lactone organocatalytic desymmetrisation, Aliphatic Compounds: Esters, Linear Anhydrides, Acyl Peroxides, and Acyl Halides and other aspects.Name: N,N-Diethylacetamide

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

On November 1, 2019, Zaitseva, Ksenia V.; Varfolomeev, Mikhail A.; Verevkin, Sergey P. published an article.HPLC of Formula: 685-91-6 The title of the article was Vapour pressures and enthalpies of vaporisation of N,N-di-alkyl-acetamides. And the article contained the following:

Molar enthalpies of vaporisation of N,N-di-alkyl-acetamides (alkyl = Me, Et, Bu, and n-hexyl) were obtained from the temperature dependence of the vapor pressure measured using the transpiration method. A large number of primary exptl. results on temperature dependencies of vapor pressures have been collected from the literature and have been treated uniformly in order to derive vaporisation enthalpies at the reference temperature 298.15 K. The evaluated data were checked for internal consistency successfully. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).HPLC of Formula: 685-91-6

The Article related to dialkyl acetamide vapor pressure enthalpy vaporization, Thermodynamics, Thermochemistry, and Thermal Properties: Thermochemical Properties and other aspects.HPLC of Formula: 685-91-6

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

Jain, Preeti; Kumar, Anil published an article in 2018, the title of the article was Structural Elucidation of the Binary Mixtures of [EMIM][BF4] and [BMIM][BF4] in Ethyl-Substituted Solvents by Isothermal Titration Calorimeter.Category: amides-buliding-blocks And the article contains the following content:

In order to address the issue whether both ionic liquids and solvents influence the enthalpy of their solutions, highly accurate excess partial molar enthalpy, HILE values have been measured using Isothermal Titration Calorimeter (ITC). Therefore, thermodn. behavior has been observed in the mixtures containing ionic liquids It essentially depends on the mol. structure of the constituents of the mixture The hydrogen bonding between ionic liquids and ethyl-substituted solvents (2-ethoxyethanol, ethylene glycol, diethylamine, Et acetate and N,N- diethylacetamide) may lead to strong ion-solvent interactions. In the present study, an effort has been made to quantify various interactions between ionic liquid and solvent, based on the HILE values. Linear solvation free relation shows dependence of limiting excess partial molar enthalpies, HILE,∞ upon the solvent properties. Structural orientation of solvent mols. and ionic liquids also described by the HILE,∞ values. The ion-ion, ion-solvent interactions have also been investigated in terms of the enthalpic interaction parameters, HIL-ILE and relative apparent molar enthalpy, φL of ionic liquid-ethyl-substituted solvent systems. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Category: amides-buliding-blocks

The Article related to solvent ionic liquid binary mixture structural elucidation, Thermodynamics, Thermochemistry, and Thermal Properties: Thermochemical Properties and other aspects.Category: amides-buliding-blocks

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

On May 31, 2020, Mehmood, Arshad; Janesko, Benjamin G. published an article.Name: N,N-Diethylacetamide The title of the article was Extending the Marcus μ-Scale of Solvent Softness Using Conceptual Density Functional Theory and the Orbital Overlap Distance: Method and Application to Ionic Liquids. And the article contained the following:

Abstract: The chem. hardness of a solvent can play a decisive role in solubility and reactivity in solution Several empirical scales quantifying solvent softness have been proposed. We explore whether computed properties of solvent mols. can reproduce these exptl. scales. Our “orbital overlap distance” quantifying the size of orbitals at a mol.’s surface effectively reproduces the Marcus μ-scale of solvent softness. The orbital overlap distance predicts that the surface of chem. hard solvent mols. is dominated by compact orbitals possessing a small orbital overlap distance. In contrast, the surface of chem. soft solvent mols. has a larger contribution from diffuse orbitals and a larger orbital overlap distance. Other conceptual d. functional theory descriptors, including the global hardness and electronegativity, can also reproduce the Marcus scale. We further introduce a “solvent versatility” RMSD Dsurf scale quantifying variations in the surface orbital overlap distance. “Good” solvents such as DMSO, which combine chem. “hard” and “soft” sites within a single mol., possess a large RMSD Dsurf. We conclude by applying this approach to predict the Marcus μ-parameters for widely-used ionic liquids and ionic liquid-cosolvent systems. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Name: N,N-Diethylacetamide

The Article related to ionic liquid solvent softness density functional theory, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Name: N,N-Diethylacetamide

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

On November 30, 2018, Earle Waghorne, W.; O’Farrell, Christina published an article.Product Details of 685-91-6 The title of the article was Solvent Basicity, A Study of Kamlet-Taft β and Gutmann DN Values Using Computationally Derived Molecular Properties. And the article contained the following:

Solvent basicity is recognized as playing a major role in solvation and is included, through empirical basicity parameters, in linear free energy relationships that account for the effects of changes in solvent on chem. reactions. It is reasonable to postulate that the basicity of a solvent mol. reflects some combination of its mol. properties. In the present study, d. functional calculations using the B3LYP functional, and Hartree-Fock calculations have been used to calculate the partial at. charges (using the Hirshfeld and CM5 models), orbital energies, polarizabilities, dipole moments and quadrupolar amplitudes for over one hundred mols. for which there are exptl. values for two basicity parameters, Kamlet and Taft’s hydrogen bond acceptor strength, β, and Gutmann’s donor number, DN, a measure of Lewis basicity. Regression of the exptl. β and DN values against mol. descriptors reflecting the above mol. properties yields a remarkably consistent picture. For both parameters the values for alcs. and amines lie systematically off of the regression lines through the remaining compounds, which include alkanes, aromatics, halogenated alkanes and aromatics, esters, carbonates, carboxylic acids, ketones, ethers, nitriles, phosphates, sulfides and sulfates. Independent of the calculation method or method of estimating the partial at. charges, both exptl. β and DN are essentially determined by two mol. properties: the charge on the most neg. atom of the mol. and the MO from which charge donation would occur. The regression results using any of the fours sets of descriptors (reflecting the two calculation methods and two methods of charge estimation) are remarkably similar for β and DN supporting the view that these are measures of the same “basicity”. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Product Details of 685-91-6

The Article related to kamlet taft gutmann donor number mol property, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Product Details of 685-91-6

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

On January 31, 2021, Spange, Stefan; Weiss, Nadine; Schmidt, Caroline H.; Schreiter, Katja published an article.Category: amides-buliding-blocks The title of the article was Reappraisal of Empirical Solvent Polarity Scales for Organic Solvents. And the article contained the following:

Correlations of Reichardt ‘s ET(30), the Catalan SdP (solvent dipolarity), SP (solvent polarizability), SA (solvent acidity), SB (solvent basicity), Kamlet-Taft π* (dipolarity/polarizability), α (hydrogen bond donating ability) and β (hydrogen bond accepting ability) polarity parameters with the molar concentration of 161 pure organic solvents are presented. Mostly, linear relationships of the polarity parameter as a function of molar concentration are obtained as long as each individual solvent class is considered sep. A phys. different interpretation of the ET(30), Kamlet-Taft π* and α as well as Catalan SA and SB parameters has been proposed. Furthermore, the Hildebrand solubility parameter in combination with the diffraction index is used for the correlation anal. with the above-mentioned solvent parameters. It can be concluded that empirical polarity parameters derived from solvatochromic UV/Vis measurements are inherently a function of the mol. structure of the probe. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Category: amides-buliding-blocks

The Article related to organic solvent empirical polarity, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Category: amides-buliding-blocks

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

On July 31, 2022, Zhao, Zhongqian; Chen, Xiumin; Wu, Jian; Wang, Wenjing; He, Bingyang; Yin, Qi; Xu, Peilin; Liu, Li published an article.Safety of N,N-Diethylacetamide The title of the article was A Study of the Mechanism of Particle Size Control of Ferrous Oxalate Dihydrate by N,N-Diethylacetamide. And the article contained the following:

D. functional theory was used to study the effect of N,N-diethylacetamide (DEAc) in the preparation of ferrous oxalate dihydrate. The calculation results indicated that DEAc mols. can affect the growth of ferrous oxalate dihydrate crystals by hydrogen bonding and van der Waals forces with C2O2-4 or H2O in ferrous oxalate dihydrate crystals. DEAc encases ferrous oxalate dihydrate crystals to inhibit crystal growth, and preferentially binds to both sides of C2O2-4 to control the axial growth of ferrous oxalate dihydrate crystals. The exptl. program was conducted based on these theor. calculation results. Rod-shaped particles with a particle size of 100 nm were obtained by adding DEAc during the preparation of ferrous oxalate dehydrate. Therefore, DEAc had a significant effect on the particle size of the ferrous oxalate dihydrate. The theor. calculations were thus confirmed by the exptl. results. And this work explains the growth mechanism of the ferrous oxalate dihydrate. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Safety of N,N-Diethylacetamide

The Article related to ferrous oxalate dihydrate diethylacetamide particle size control, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Safety of N,N-Diethylacetamide

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

Weaver-Guevara, Holly M.; Fitzgerald, Ryan W.; Greenberg, Arthur published an article in 2017, the title of the article was Rotational barriers in five related amides.Recommanded Product: N,N-Diethylacetamide And the article contains the following content:

Interest in the low carbonyl IR frequency of 2-hydroxy-N,N-bis(2-hydroxyethyl)acetamide (2) initially prompted our interest in the amide rotational barrier of this mol. and four related amides that present a variety of hydrogen-bonding possibilities. In the course of this study, a previously incorrect structural assignment was established as N,N-bis[2-(acetyloxy)ethyl]-acetamide. In acetonitrile-d3, the carbonyl IR frequencies of the five amides were all essentially normal amide frequencies. Despite very different hydrogen-bonding possibilities in the five amides, no clear trends emerged in the comparison of the rotational barriers (ΔG‡), and the rotational barriers were essentially normal for amides. The rotational barrier of 2 did not vary over one order of magnitude difference in concentration The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Recommanded Product: N,N-Diethylacetamide

The Article related to amide rotational barrier, Physical Organic Chemistry: Rearrangements, Including Isomerization and Tautomerization and other aspects.Recommanded Product: N,N-Diethylacetamide

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