Tag: M.W=50-100

Smirnov, Valeriy I. published the artcileSolvation of L-Asparagine in Some Aqueous-Organic Solutions at T = 298.15 K, Recommanded Product: N-Methylformamide, the main research area is solvation asparagine aqueous organic solution.

Some thermodn. parameters of the dissolution and solvation of L-asparagine in aqueous solutions of amides were obtained using calorimetry and calculation methods. The influence of the physicochem. properties of organic solvents on the energy of interparticle interactions with L-asparagine mols. in aqueous solutions was studied. All of the data obtained were compared with similar data for L-glutamine. The main differences and similarities of the thermodn. characteristics of the dissolution and solvation of L-asparagine and L-glutamine in aqueous solutions of organic solvents were established. Some recommendations were given when choosing water-organic mixtures for predicting the standard thermodn. properties of aqueous protein systems.

Journal of Chemical & Engineering Data published new progress about Aqueous solutions. 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

Yousefinejad, Saeed published the artcileSolvent property-ion conductivity relationship for lithium, sodium and potassium ions in non-aqueous solvents using QSER, Related Products of amides-buliding-blocks, the main research area is lithium sodium potassium non aqueous solvent ionic conductivity QSER.

Non-aqueous solvents are applicable in industrial and chem. reactions as well as some anal. methods such as electrochem. Application of quant. structure-electrochem. relationship (QSER) modeling in non-aqueous media can reduce trial-and-error experiments and more accurate estimation of target properties with lower number of runs. In the current study, for the first time, QSER was applied in conductometry as a wide field in electrochem. The target properties for modeling were the limiting molar conductivities of three alkali metal ions (Li+, Na+, K+) in water and various organic solvents; and empirical scales of the utilized solvents were applied as the independent set of variables. R2 in training sets of Li+, Na+ and K+ models were 0.94, 0.95 and 0.90 resp. Models also showed good prediction ability and R2 in test sets of Li+, Na+ and K+ models were 0.95, 0.94 and 0.98 resp. In addition, more statistical evaluations were done to show the predictability and stability of proposed QSERs. One of the advantages of suggested QSER models based on solvent empirical scales is the clear meaning of the solvent scales and their ability in description of solute-solvent interactions. Based on obtained results, the impact of some solvent features such as electron-donating power, electron-donating power, dipolarity-dipolarizability, hydrogen bonding, hydrogen-bond acceptor basicity and solvent acceptor number on the conductivity of lithium, sodium and potassium ions were discussed.

Journal of Molecular Liquids published new progress about Aqueous solutions. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Related Products of amides-buliding-blocks.

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

Reimann, Marc published the artcileEvaluation of an Efficient 3D-RISM-SCF Implementation as a Tool for Computational Spectroscopy in Solution, Application of N-Methylformamide, the main research area is efficient 3D RISM DFT implementation tool computational spectroscopy.

The 3D-RISM-DFT solvent-model implementation of Gusarov et al. J. Phys. Chem. A 2006, 110, 6083-6090 in the Amsterdam D. Functional program has been improved and extended. In particular, an accurate yet efficient representation of the solute electrostatic potential is provided. The Coulomb-potential fitting of many DFT codes can be used advantageously in this context. The extra effort compared to a point-charge representation is small for a given SCF cycle and compensated by faster SCF convergence. This allows applications to large solutes, as demonstrated by evaluation of the solvatochromism of Reichardt’s dye. In general, TDDFT applications to excitation energies in solution stand out and are highlighted. Applications to the 17O NMR chem. shifts of N-methylformamide in different solvents also demonstrate the distinct advantages of 3D-RISM over continuum solvents. Limitations are observed in this case or water solvent, where the solvent shielding is overestimated. This shortcoming applies also to the 17O gas-to-liquid shift of water, here we used localized MO analyses for a deeper understanding. For such cases of extremely strong solute-solvent interactions, couplings between solute and solvent orbitals induced by the magnetic perturbation are relevant. These clearly require a quantum-mech. treatment of the most closely bound solvent mols. Except for such extreme cases, 3D-RISM-SCF is very well suited to treat solvent effects on NMR parameters. More serious limitations pertain to the treatment of vibrational spectra, where the absence of the coupling between solute and solvent vibrational modes limits the accuracy of applications of 3D-RISM-SCF. The reported extended, efficient, and numerically accurate 3D-RISM-DFT implementation should provide a useful tool to study chem. and spectroscopic properties of mols. of appreciable size in a realistic solvent environment.

Journal of Physical Chemistry A published new progress about Coulomb potential. 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

Barba, Fructuoso published the artcileElectrosynthesis of Oxazol-2(3H)-Ones and Diaroylhydrazines from 1,2-Dicarbonyl Compounds and Arenediazonium Salts, HPLC of Formula: 123-39-7, the main research area is oxazolone diaroylhydrazine preparation; dicarbonyl compound arenediazonium salt electrochem tandem reaction.

New five-membered oxazol-2(3H)-one heterocycles and 1,2-diaroylhydrazines were obtained in good yield when 1,2-dicarbonyl substrates were reduced at the cathode in N-Me formamide/LiClO4 as solvent-supporting-electrolyte system, and in the presence of arenediazonium salts. Electrochem. pathways were presented to involve (a) cascade reactions: hydrogen atom abstraction from a solvent mol., radical coupling reaction with substrate intermediate, and intramol. migration of a methylamino group, to provide oxazolones or (b) surprising C-C bond cleavage in the substrate radical anion, assisted by a diazonium salt, that evolves to disubstituted arylhydrazides.

ChemElectroChem published new progress about Coupling reaction. 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

Venkateshwaran, Krishnan published the artcileHypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures, COA of Formula: C2H5NO, the main research area is hypervalent organoselenium compound synthesis stability crystal structure; crystal structure; disodium diselenide; intramolecular interaction; organochalcogen chemistry; selenapentalene; selenium.

Two novel hypervalent selenium(IV) compounds stabilized by intramol. interactions, namely 6-phenyl-6,7-dihydro-5H-2,3-dioxa-2aλ4-selenacyclopenta[hi]indene, C14H12O2Se, 14, and 5-phenyl-5,6-dihydro-4H-benzo[c][1,2]oxaselenole-7-carbaldehyde, C14H12OSe2, 15, have been synthesized by the reaction of 2-chloro-1-formyl-3-(hydroxymethylene)cyclohexene with in-situ-generated disodium diselenide (Na2Se2). The title compounds were characterized by FT-IR spectroscopy, ESI-MS, and single-crystal X-ray diffraction studies. For 14, there is whole-mol.disorder, with occupancies of 0.605 (10) and 0.395 (10), a double bond between C and Se, and the five-membered selenopentalene rings are coplanar. The packing is stabilized by p-p stacking interactions involving one of the five-membered Se/C/C/C/O rings [centroid-centroid (Cg···Cg) distance = 3.6472 (18) Å and slippage = 1.361 Å], as well as C-H···p interactions involving a C-H group and the Ph ring. In addition, there are bifurcated C-H···Se,O interactions which link the mols. into ribbons in the c direction. For 15, the C-Se bond lengths are longer than those of 14. The two five-membered rings are coplanar. There are no p-p or C-H···p interactions; however, mols. are linked by C-H···O interactions into centrosym. dimers, with graph-set notation R22(16).

Acta Crystallographica, Section C: Structural Chemistry published new progress about Crystal structure. 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

Zhao, Jiong-Peng published the artcileTunable Ferromagnetic Strength in Niccolite Structural Heterometallic Formate Framework Based on Orthogonal Magnetic Orbital Interactions, Safety of N-Methylformamide, the main research area is niccolite structural heterometallic formate framework tunable ferromagnetism magnetocaloric effect.

A series of heterometallic formate framework templated by amines were solvothermally prepared They feature the formula of [AI][CrMII(HCO2)6] (AI = NH4H2OI and M = Mn for 1, AI = CH3NH3I and M = Fe for 2, AI = CH3NH2CH3I and M = Co for 3, AI = CH3NH3I and M = Ni for 4). The title compounds exhibit isostructural niccolite architectures with differences only in the host metal ions and guest amines. Tunable ferromagnetic (FO) strength was realized in the resulting framework under the guidance of orthogonal magnetic orbital anal. of CrIII (t2g3eg) and MII (t2g3eg2 for MnII, t2g4eg2 for FeII, t2g5eg2 for CoII, t2g6eg2 for NiII) ions. The magnetic ordering temperatures derived from the exptl. magnetic measurements for 1-4 are lower than 2, 10.3, 7.6, and 22.0 K, resp. Notably, thanks to the weak FO coupling between CrIII and MnII ions, compound 1 displays a large magnetocaloric effect bearing the maximum of magnetic entropy change (-ΔSmmax) up to 43.9 J kg-1 K-1 with ΔH = 7 T and T = 3.5 K, larger than most reported transition metal-based complexes and com. gadolinium gallium garnet (Gd3Ga5O12) (-ΔSmmax = 38.4 J kg-1 K-1 with ΔH = 7 T). From 1, 2/3, to 4, an enhancement of the magnetic ordering temperature is observable due to the increasing strength of FO interactions between CrIII and MII ions. Our work provides a successful instance to modulate the strength of FO exchange via analyzing the orthogonal magnetic orbitals of heterometallic ions.

Inorganic Chemistry published new progress about Crystal structure. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Safety of N-Methylformamide.

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

Comins, Daniel L. published the artcileSynthesis of MAPA Reagents and 2-Alkyl(aryl)aminopyridines from 2-Bromopyridine Using the Goldberg Reaction, Application In Synthesis of 123-39-7, the main research area is aminopyridine preparation; bromopyridine amide copper catalyst Goldberg reaction; 1,10-phenanthroline; 2-alkyl(aryl)aminopyridines; 2-methylaminopyridine amides; Goldberg reaction; N-methyl-N-(2-pyridyl)formamide; copper-catalyzed reactions; cross-coupling reactions.

A short and economical synthesis of various 2-methylaminopyidine amides (MAPA) from 2-bromopyridine was developed using the catalytic Goldberg reaction. The effective catalyst was formed in-situ by the reaction of CuI and 1,10-phenanthroline in a 1/1 ratio with a final loading of 0.5-3 mol%. The process afforded high yields and accommodated multigram-scale reactions. A modification of this method provided a new preparation of 2-N-substituted aminopyridines from various secondary N-alkyl(aryl)formamides and 2-bromopyridine. The intermediate aminopyridine formamide was cleaved in-situ through methanolysis or hydrolysis to give 2-alkyl(aryl)aminopyridines in high yields.

Molecules published new progress about Amidation catalysts. 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

Dhawan, Sanjeev published the artcileHCl-mediated transamidation of unactivated formamides using aromatic amines in aqueous media, HPLC of Formula: 123-39-7, the main research area is secondary or tertiary amide green chemoselective preparation; aromatic hetero aryl amine formamide transamidation hydrochloric acid catalyst.

Transamidation protocol for the synthesize of secondary and tertiary amides R1R2NC(O)H [R1 = Ph, 2-HOC6H4, 3-BrC6H4, etc.; R2 = H, Me, Ph, etc.] from weakly nucleophilic aromatic and hetero-aryl amines with low reactive formamide derivatives, utilizing hydrochloric acid as catalyst was reported. This current acid mediated strategy was beneficial because it eliminated the need for a metal catalyst, promoter or additives in the reaction, simplifies isolation and purification Notably, this approach conventionally used to synthesize mols. on gram scales with excellent yields and a high tolerance for functional groups.

Synthetic Communications published new progress about Amidation catalysts. 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

Liang, Weixiong published the artcileOn the myth of ”red/near-IR carbon quantum dots” from thermal processing of specific colorless organic precursors, Recommanded Product: N-Methylformamide, the main research area is carbon quantum dot thermal processing organic precursor red nearIR.

Carbon dots were originally found and reported as surface-passivated small carbon nanoparticles, where the effective surface passivation was the chem. functionalization of the carbon nanoparticles with organic mols. Understandably, the very broad optical absorptions of carbon dots are largely the same as those intrinsic to the carbon nanoparticles, characterized by progressively decreasing absorptivities from shorter to longer wavelengths. Thus, carbon dots are generally weak absorbers in the red/near-IR and correspondingly weak emitters with low quantum yields. Much effort has been made on enhancing the optical performance of carbon dots in the red/near-IR, but without meaningful success due to the fact that optical absorptivities defined by Mother Nature are in general rather inert to any induced alterations. Nevertheless, there were shockingly casual claims in the literature on the major success in dramatically altering the optical absorption profiles of ”carbon dots” by simply manipulating the dot synthesis to produce samples of some prominent optical absorption bands in the red/near-IR. Such claims have found warm receptions in the research field with a desperate need for carbon dots of the same optical performance in the red/near-IR as that in the green and blue. However, by looking closely at the initially reported synthesis and all its copies in subsequent investigations on the ”red/near-IR carbon dots”, one would find that the ”success” of the synthesis by thermal or hydrothermal carbonization processing requires specific precursor mixtures of citric acid with formamide or urea. In the study reported here, the systematic investigation included precursor mixtures of citric acid with not only formamide or urea but also their partially methylated or permethylated derivatives for the carbonization processing under conditions similar to and beyond those commonly used and reported in the literature. Collectively all of the results are consistent only with the conclusion that the origins of the observed red/near-IR optical absorptions in samples from some of the precursor mixtures must be mol. chromophores from thermally induced chem. reactions, nothing to do with any nanoscale carbon entities produced by carbonization.

Nanoscale Advances published new progress about Carbon quantum dots. 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

Gregory, Kasimir P. published the artcileThe electrostatic origins of specific ion effects: quantifying the Hofmeister series for anions, Related Products of amides-buliding-blocks, the main research area is electrostatic origins specific ion effect Hofmeister anion.

Life as we know it is dependent upon water, or more specifically salty water. Without dissolved ions, the interactions between biol. mols. are insufficiently complex to support life. This complexity is intimately tied to the variation in properties induced by the presence of different ions. These specific ion effects, widely known as Hofmeister effects, have been known for more than 100 years. They are ubiquitous throughout the chem., biol. and phys. sciences. The origin of these effects and their relative strengths is still hotly debated. Here we reconsider the origins of specific ion effects through the lens of Coulomb interactions and establish a foundation for anion effects in aqueous and non-aqueous environments. We show that, for anions, the Hofmeister series can be explained and quantified by consideration of site-specific electrostatic interactions. This can simply be approximated by the radial charge d. of the anion, which we have calculated for commonly reported ions. This broadly quantifies previously unpredictable specific ion effects, including those known to influence solution properties, virus activities and reaction rates. Furthermore, in non-aqueous solvents, the relative magnitude of the anion series is dependent on the Lewis acidity of the solvent, as measured by the Gutmann Acceptor Number Analogous SIEs for cations bear limited correlation with their radial charge d., highlighting a fundamental asymmetry in the origins of specific ion effects for anions and cations, due to competing non-Coulombic phenomena.

Chemical Science published new progress about Coordination number. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Related Products of amides-buliding-blocks.

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