Category: 123-39-7

Qiu, Dan published the artcileSolubility, density and refractive index of formamide/N-methylformamide/N, N-dimethylformamide + Rb2SO4 + H2O ternary systems at 283.2, 298.2 and 313.2 K, Recommanded Product: N-Methylformamide, the main research area is methylformamide sulfuric acid rubidium water ternary system.

In this work, the solid-liquid equilibrium (SLE) of the ternary systems formamide (FA)/N-methylformamide (NMF)/N, N-dimethylformamide (DMF) + Rb2SO4 + H2O was measured at temperatures of 283.2, 298.2, and 313.2 K. The isothermal solubility of Rb2SO4 in mixed solvents, the d. and refractive index of the saturated solutions were determined At a given temperature, with the increase of the amide content in the mixed solvent, the saturated solubility of Rb2SO4 decreased significantly. The d. trend was consistent with the solubility However, the refractive index increased with increasing the content of amide. The solubility increased with increasing the temperature, whereas, the d. curves and refractive index curves at the three temperatures showed a point of intersection. In addition, the influence of the polarity and structure of amide on the solubility of the ternary system was also discussed. Finally, the exptl. data were fitted with empirical equations.

Journal of Chemical Thermodynamics published new progress about Density. 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

Pande, Vikram published the artcileDescriptors for Electrolyte-Renormalized Oxidative Stability of Solvents in Lithium-Ion Batteries, Application In Synthesis of 123-39-7, the main research area is HOMO solvent electrolyte density functional theory renormalization oxidative stability.

Electrolyte stability against oxidation is one of the important factors limiting the development of high energy d. batteries. The HOMO (HOMO) level of solvent mols. has been traditionally used for understanding trends in their oxidative stability, but this assumes a noninteracting environment. However, solvent HOMO levels are renormalized because of mols. in their solvation shells. In this work, we first demonstrate an inexpensive and accurate method to determine the HOMO level of the solvent followed by simple descriptors for renormalization of the HOMO level due to different electrolyte components. The descriptors are based on Gutmann donor and acceptor numbers of the solvent and other components. The method uses fast generalized gradient approximation-level d. functional theory calculations compared to previously used expensive, exptl. data-dependent methods. This method can be used to screen for unexplored stable solvents among the large number of known organic compounds to design novel high-voltage stable electrolytes.

Journal of Physical Chemistry Letters published new progress about Anions. 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

Allen, Marshall J. published the artcileMechanically robust hydrophobized double network hydrogels and their fundamental salt transport properties, Product Details of C2H5NO, the main research area is salt transport property mech robust hydrophobized double network hydrogel.

Water swollen polymer networks are attractive for applications ranging from tissue regeneration to water purification For water purification, charged polymers provide excellent ion separation properties. However, many ion exchange membranes (IEMs) are brittle, necessitating the use of thick support materials that ultimately decrease throughput. To this end, novel double network hydrogels (DNHs) with variable water content are prepared and characterized in terms of mech. and ion transport properties to evaluate their potential utility as tough membrane materials. The first network contains fixed anionic charges, while the other is comprised of a copolymer with varied ratios of hydrophobic Et acrylate (EA) and hydrophilic di-Me acrylamide (DMA) repeat units. Characterization of freestanding DNH films reveals a reduction in water content from 88 to 53 wt% and a simultaneous increase in ultimate stress and strain by ∼3.5x and ∼4.5x, resp., for 95%/5% EA/DMA, relative to 100% DMA. Fundamental salt transport properties relevant to water purification, including permeability, solubility, and diffusivity, are measured and systematically compared with conventional membrane materials to inform the development of DNHs for membrane applications. The ability to simultaneously reduce water content and increase mech. integrity highlights the potential of DNHs as a synthetic platform for future membrane applications.

Journal of Polymer Science (Hoboken, NJ, United States) published new progress about Anions. 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

Skarmoutsos, Ioannis published the artcileLocal intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study, Application In Synthesis of 123-39-7, the main research area is methylformamide hydrogen bond intermol structure DFT mol dynamics.

The local intermol. structure and related dynamics in the liquid cis/trans N-methylformamide mixture at ambient temperature and d. conditions have been systematically studied by employing Born-Oppenheimer mol. dynamics simulation techniques. Particular attention has been paid to the local structure around the cis- and trans- conformers and the formation and dynamics of hydrogen bonds with their closest neighbors. The calculated atom-atom radial distribution functions are in very good agreement with available exptl. data and reveal the existence of different types of hydrogen bonding intermol. interactions. The average number of hydrogen bonds formed by the cis- conformers is higher in comparison with the one corresponding to the trans- conformers. Moreover, the lifetimes of the hydrogen bonds formed in the liquid are longer when the cis- conformers participate in the bond formation, either as donors or acceptors. These findings clearly indicate that the local structural network around the cis- conformers in the liquid is more cohesive. The latter finding is also reflected in the slower reorientational dynamics of the cis- conformers and the low- and high-frequency region of the spectral densities of the at. velocity time correlation functions. Finally, the calculated average dipole moments of the trans- and cis- conformers are significantly higher than their corresponding gas-phase values, signifying the importance of polarization effects in this particular polar liquid solvent.

Journal of Molecular Liquids published new progress about Atoms. 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

Belloche, A. published the artcileRe-exploring molecular complexity with ALMA (ReMoCA): interstellar detection of urea, Name: N-Methylformamide, the main research area is urea atacama large millimeter submillimeter array ReMoCA.

Context. Urea, NH2C(O)NH2, is a mol. of great importance in organic chem. and biol. Two searches for urea in the interstellar medium have been reported in the past, but neither were conclusive. Aims. We want to take advantage of the increased sensitivity and angular resolution provided by the Atacama Large Millimeter/submillimeter Array (ALMA) to search for urea toward the hot mol. cores embedded in the high-mass-star-forming region Sgr B2(N). Methods. We used the new spectral line survey named ReMoCA (Re-exploring Mol. Complexity with ALMA) that was performed toward Sgr B2(N) with ALMA in its observing cycle 4 between 84 and 114 GHz. The spectra were analyzed under the local thermodn. equilibrium approximation We constructed a full synthetic spectrum that includes all the mols. identified so far. We used new spectroscopic predictions for urea in its vibrational ground state and first vibrationally excited state to search for this complex organic mol. in the ReMoCA data set. We employed the gas-grain chem. kinetics model MAGICKAL to interpret the astronomical observations. Results. We report the secure detection of urea toward the hot core Sgr B2(N1) at a position called N1S slightly offset from the continuum peak, which avoids obscuration by the dust. The identification of urea relies on nine clearly detected transitions. We derive a column d. of 2.7 × 1016 cm-2 for urea, two orders of magnitude lower than the column d. of formamide, and one order of magnitude below that of Me isocyanate, acetamide, and N-methylformamide. The latter mol. is reliably identified toward N1S with 60 clearly detected lines, confirming an earlier claim of its tentative interstellar detection. We report the first interstellar detections of NH2CH18O and 15NH2CHO. We also report the nondetection of urea toward the secondary hot core Sgr B2(N2) with an abundance relative to the other four species at least one order of magnitude lower than toward the main hot core. Our chem. model roughly reproduces the relative abundances of formamide, Me isocyanate, acetamide, and N-methylformamide, but it overproduces urea by at least one order of magnitude. Conclusions. Urea is clearly detected in one of the hot cores. Comparing the full chem. composition of Sgr B2(N1S) and Sgr B2(N2) may help understand why urea is at least one order of magnitude less abundant in the latter source.

Astronomy & Astrophysics published new progress about Stars. 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

Brown, Trevor N. published the artcileEmpirical regressions between system parameters and solute descriptors of polyparameter linear free energy relationships (PPLFERs) for predicting solvent-air partitioning, COA of Formula: C2H5NO, the main research area is solvent air partitioning regression system parameter solute descriptor PPLFER.

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

Fluid Phase Equilibria published new progress about Air. 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

Zhang, Yan published the artcileCu-Catalyzed carbamoylation versus amination of quinoline N-oxide with formamides, Category: amides-buliding-blocks, the main research area is copper catalyzed carbamoylation amination quinoline nitrogen oxide formamide; carbamoyl amino quinoline preparation cross dehydrogenative coupling radical mechanism.

An efficient, direct carbamoylation and amination of quinoline N-oxides with formamides to access 2-carbamoyl and 2-amino quinolines has been developed through copper-catalyzed C-C and C-N bond formations via cross-dehydrogenative coupling reactions. The reaction proceeds smoothly over a broad range of substrates with excellent functional group tolerance under mild conditions. Mechanistic studies suggest that the reaction is initiated by formamide radical or decarbonylative aminyl radical formation in the presence of TBHP, according to the different substituent on the N atom of formamide.

Organic & Biomolecular Chemistry published new progress about Amination. 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

Yang, Chu published the artcileAmination of Aromatic Halides and Exploration of the Reactivity Sequence of Aromatic Halides, HPLC of Formula: 123-39-7, the main research area is amination aromatic halide DMF amine reactivity.

A base-promoted amination of aromatic halides has been developed using a limited amount of DMF (DMF) or amine as an amino source. Various aryl halides, including F, Cl, Br, and I, have been successfully aminated in good to excellent yields. Although the amination of aromatic halides with amines or DMF is usually considered as an aromatic nucleophilic substitution (SNAr) process, and the reactivity of an aromatic halide is F > Cl > Br > I, the reactivity of aromatic halides in this system was found to be I > Br ≈ F > Cl. This protocol also showed a good regioselectivity for multihalogenated aromatics This protocol is valuable for industrial application due to the simplicity of operation, the unrestricted availability of amino sources and aromatic halides, transition metal-free conditions, no requirement for solvent, and scalability.

Journal of Organic Chemistry published new progress about Amination. 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

Ellis, Ryan G. published the artcileHybrid Ligand Exchange of Cu(In,Ga)S2 Nanoparticles for Carbon Impurity Removal in Solution-Processed Photovoltaics, Recommanded Product: N-Methylformamide, the main research area is ligand exchange copper indium gallium sulfide nanoparticle solar cell.

The solution processing of Cu(In,Ga)(S,Se)2 photovoltaics from colloidal nanoparticles has long suffered from deleterious carbonaceous residues originating from long chain native ligands. This impurity carbon has been observed to hinder grain formation during selenization and leave a discrete residue layer between the absorber layer and the back contact. In this work, organic and inorganic ligand exchanges were investigated to remove tightly bound native oleylamine ligands from Cu(In,Ga)S2 nanoparticles, thereby removing the source of carbon contamination. However, incomplete ligand removal, poor colloidal stability, and/or selective metal etching were observed for these methods. As such, an exhaustive hybrid organic/inorganic ligand exchange was developed to bypass the limitations of individual methods. A combination of microwave-assisted solvothermal pyridine ligand stripping followed by inorganic capping with diammonium sulfide was developed and yielded greater than 98% removal of native ligands via a rapid process. Despite the aggressive ligand removal, the nanoparticle stoichiometry remained largely unaffected when making use of the hybrid ligand exchange. Furthermore, highly stable colloidal ink formulations using nontoxic DMSO were developed, supporting stable nanoparticle mass concentrations exceeding 200 mg/mL. Scalable blade coating of the ligand-exchanged nanoparticle inks yielded remarkably smooth and microcrack free films with an RMS roughness less than 7 nm. Selenization of ligand-exchanged nanoparticle films afforded substantially improved grain growth as compared to conventional nonligand-exchanged methods, yielding an absolute improvement in device efficiency of 2.8%. Hybrid ligand exchange nanoparticle-based devices reached total area power conversion efficiencies of 12.0%, demonstrating the feasibility and promise of ligand-exchanged colloidal nanoparticles for the solution processing of Cu(In,Ga)(S,Se)2 photovoltaics.

Chemistry of Materials published new progress about Annealing. 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

Fan, Xuelin published the artcileHigh-performance ultra-short channel field-effect transistor using solution-processable colloidal nanocrystals, Recommanded Product: N-Methylformamide, the main research area is ultrashort channel field effect transistor solution processable colloidal nanocrystal.

The authors demonstrate high-mobility solution-processed inorganic field-effect transistors (FETs) with ultra-short channel (USC) length using semiconductor CdSe nanocrystals (NCs). Capping of the NCs with hybrid inorganic-organic CdCl3–butylamine ligands enables coarsening of the NCs during annealing at a moderate temperature, resulting in the devices having good transport characteristics with electron mobilities in the saturation regime reaching 8 cm2 V-1 s-1. Solution-based processing of the NCs and fabrication of thin films involve neither harsh conditions nor the use of hydrazine. Employing photolithog. methods, the authors fabricated FETs with a vertical overlap of source and drain electrodes to achieve a submicrometer channel length. Because of a short channel length, the FETs show a normalized transconductance of 4.2 m V-1 s-1 with a high on/off ratio of 105.

Journal of Physical Chemistry Letters published new progress about Annealing. 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