Month: November 2022

Khachatrian, Artashes A. published the artcileHydrogen bonding of linear and cyclic amides in ionic liquids, Product Details of C2H5NO, the main research area is ionic liquid hydrogen bond enthalpy amide solution.

The present work focuses on hydrogen bonding of linear and cyclic amides (formamide, N-methylformamide, acetamide, N-methylacetamide, N, N-dimethylacetamide, 2-pyrrolidone) in several ionic liquid (1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide [BMIM][NTf2], 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF4], 1-butyl-3-methylimidazolium trifluoromethanesulfonate [BMIM][TfO], 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM][PF6], triethylsulfonium bis(trifluoromethylsulfonyl)imide [Et3S][NTf2], Trimethylpropylammonium bis(trifluoromethylsulfonyl)imide [TMPAm][NTf2]). The solution enthalpies of amides in ionic liquids were measured by solution calorimetry at infinite dilution The hydrogen bond enthalpies were calculated based on solution enthalpies of amides in ionic liquids The hydrogen bond enthalpies of linear and cyclic amides in ionic liquids and organic proton acceptors were compared. The influence of active proton donor center on the formation of hydrogen bond complexes between amides and ionic liquids was analyzed.

Thermochimica Acta published new progress about Hydrogen bonding enthalpy. 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

Arya, Chetan Kumar published the artcileA 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase, Application In Synthesis of 123-39-7, the main research area is dimethylformamidase iron center tyrosine Paracoccus; amide bond hydrolysis; bioremediation; dimethylforamamidase; metalloenzymes; protein structure.

N,N-DMF (DMF) is an extensively used organic solvent but is also a potent pollutant. Certain bacterial species from genera such as Paracoccus, Pseudomonas, and Alcaligenes have evolved to use DMF as a sole carbon and nitrogen source for growth via degradation by a dimethylformamidase (DMFase). We show that DMFase from Paracoccus sp. strain DMF is a halophilic and thermostable enzyme comprising a multimeric complex of the α2β2 or (α2β2)2 type. One of the three domains of the large subunit and the small subunit are hitherto undescribed protein folds of unknown evolutionary origin. The active site consists of a mononuclear iron coordinated by two Tyr side-chain phenolates and one carboxylate from Glu. The Fe3+ ion in the active site catalyzes the hydrolytic cleavage of the amide bond in DMF. Kinetic characterization reveals that the enzyme shows cooperativity between subunits, and mutagenesis and structural data provide clues to the catalytic mechanism.

Angewandte Chemie, International Edition published new progress about Density functional theory. 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

Mehmood, Arshad published the artcileExtending the Marcus μ-Scale of Solvent Softness Using Conceptual Density Functional Theory and the Orbital Overlap Distance: Method and Application to Ionic Liquids, COA of Formula: C2H5NO, the main research area is ionic liquid solvent softness density functional theory.

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.

Journal of Solution Chemistry published new progress about Density functional theory. 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

Tsai, Shih-Yi published the artcileHydrogen-Atom-Assisted Uphill Isomerization of N-Methylformamide in Darkness, Safety of N-Methylformamide, the main research area is hydrogen atom assisted uphill isomerization methylformamide in darkness.

N-Methylformamide, HC(O)NH(CH3), is the smallest amide detected in the interstellar medium that can exist as cis and trans isomers. We performed reactions of H atoms with trans-NMF in solid para-hydrogen at 3.3 K and found that the cis-NMF isomer, which has higher energy, increased continuously in darkness, demonstrating a previously overlooked and seemingly unlikely isomerization of prebiotic mols. through H-atom tunneling reactions in the absence of light. IR spectra of radical intermediates trans-•C(O)NH(CH3) and trans-HC(O)NH(•CH2) were identified. Further H addition and H abstraction enhanced the formation of CH3NCO, HNCO, and CH2NH in the H-rich experiments These results indicate that, unlike the dual cycle of H-abstraction and H-addition channels chem. linking formamide and HNCO, the H addition to CH3NCO produced only cis-radicals that led to cis-NMF. Furthermore, H-atom-induced fragmentation by breaking the C-C bond provides links between NMF and HCNO/CH2NH. These endothermic isomerization/decomposition reactions become possible through the coupling with H + H → H2.

Journal of the American Chemical Society published new progress about Conformational transition. 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

Zhang, Mengchen published the artcileControlling assembly behaviors of laminar GO membranes in organic solvents by altering GO-solvent interactions, Recommanded Product: N-Methylformamide, the main research area is laminar GO membrane organic solvent.

Two-dimensional graphene oxide (GO) membranes are promising for mol.-scale separations Laminar GO membranes usually involve liquid phase fabrications in aqueous solvents, whereas their assembly behaviors in organic solvents remain unexplored. Herein, we report a simple methodol. for controlling assembly behaviors of laminar GO membranes in organic solvents by altering GO-solvent interactions. We exptl. and theor. demonstrated that, governed by the competition between GO-solvent intermol. interaction and GO intramol. interaction, GO nanosheets displayed deverse disperse properties in different organic solvents, thereby determining their distinct assembly behaviors. Moreover, the membrane formation and structure and their relations to transport properties were studied through detailed investigations of laminar GO membranes assembled in selected organic solvents. The uniform and intact GO membranes built up by good solvents assistant assembly featured competitive organic solvent nanofiltration (OSN) performances. For example, the GODMSO membrane exhibited permeance of 66-76 L m-2 h-1 bar-1 of methanol and rejection of more than 95% of dyes with mol. weights >600 g mol-1, and the GODMF membrane achieved permeance of 26-32 L m-2 h-1 bar-1 of methanol and rejection of more than 95% of dyes with mol. weights >400 g mol-1. This work elucidates the property-structure-performance relationships of laminar GO membranes assembled in organic solvents, offering a straightforward paradigm for controllable assembly of laminar 2D-material membranes via facile solvents selection.

Journal of Membrane Science published new progress about Conformational transition. 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

Cokrtova, Katerina published the artcileEffect of background electrolyte anions on markers of electroosmotic flow in capillary electrophoresis, Formula: C2H5NO, the main research area is background electrolyte anion marker electroosmotic flow capillary electrophoresis mobility.

Abstract: Accurate knowledge of the electroosmotic flow mobility is crucial for the determination of effective electrophoretic mobilities in capillary electrophoresis. The addition of a neutral marker to the sample is a common method for electroosmotic flow mobility measurement. Nevertheless, the neutral marker can also exhibit electrophoretic mobility due to its interactions with background electrolyte constituents. In our previous study, we have shown the effect of different cations in background electrolytes with a fixed anion. In this work, the relative mobility of neutral compounds, either those commonly used as electroosmotic flow markers or their structurally related mols., was measured in the presence of various anions in the background electrolyte with sodium as a fixed cation at pH 4.5. The mobility of eight compounds, formamide, N-methylformamide, N,N-dimethylformamide, acrylamide, N,N-dimethylacrylamide, N-methylacetamide, mesityl oxide, and DMSO, was related to the mobility of thiourea. The studied anions were chloride, perchlorate, sulfate, and acetate. The results revealed a dramatic effect of perchlorate. The interaction with perchlorate strengthens significantly with the increasing number of non-polar moieties, such as Me or acryl, present in the marker mol. On the other hand, sulfate showed a very weak effect on all the studied compounds Graphic abstract: [graphic not available: see fulltext].

Monatshefte fuer Chemie published new progress about Capillary electrophoresis. 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

Ren, Siru published the artcileUse of Gamithromycin as a Chiral Selector in Capillary Electrophoresis, Product Details of C2H5NO, the main research area is gamithromycin chiral selector capillary electrophoresis; Antibiotics; Capillary electrophoresis; Chiral selector; Enantioseparation; Gamithromycin; Non-aqueous.

In this short communication, the authors report the use of a second-generation macrolide antibiotic, gamithromycin (Gam), as a novel chiral selector for enantioseparation in capillary electrophoresis (CE). A preliminary anal. of the experiment results shows that Gam is especially suitable for the separation of chiral primary amines. Factors influencing enantioseparations were systematically studied including the composition of the background electrolyte (BGE), concentration of Gam, the type and proportion of organic solvents, applied voltage, etc. In particular, N-Methylformamide (NMF) was successfully used as a non-aqueous solvent for Gam, and is extremely effective for the separation of primaquine (PMQ) and 1-aminoindan (AMI) when used alone or mixed with other commonly used non-aqueous solvents (e.g. methanol). To the authors’ knowledge this was also the first application of NMF as a non-aqueous solvent for antibiotic chiral selectors in CE. The best separations were obtained with 100 mM Tris, 125 mM H3BO3 and 80 mM Gam in methanol/NMF (25:75) solvent for PMQ and AMI, or 80-100 mM Gam in methanol for the other model analytes. Among the analytes, the resolution (Rs) of amlodipine (AML) reached up to 15.65, which is to the authors’ knowledge the highest value ever reported in CE studies for this compound (except for using molecularly imprinted polymers technique).

Journal of Chromatography A published new progress about Capillary electrophoresis. 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

Slowinski, Franck published the artcileExpeditive Access to 2-Substituted 4H-Pyrido[1,3]oxazin-4-ones via an Intramolecular O-Arylation, COA of Formula: C6H5BrN2O, the main research area is aroyl nicotinamide intramol arylation heterocyclization microwave irradiation; pyrido oxazinone preparation mol crystal structure; microwave irradiation intramol arylation heterocyclization mediator.

Unreported 2-substituted 4H-pyrido[e][1,3]oxazin-4-ones, e.g., I (X-rays single crystal structure shown), are synthesized via an unprecedented intramol. O-arylation of N-aroyl- and N-heteroaroyl-(iso)nicotinamides under microwave irradiations, in good to excellent yields. The broad applicability was demonstrated by 24 examples with a variety of substituents at the 2-position of the final compounds and 3 possible positions for the nitrogen atom of the pyridine ring. In addition, transformation of one of these compounds into 2-hydroxypyridyl-substituted 1,2,4-triazole and 1,2,4-oxazinone was realized. This approach opens a rapid access to a new bicyclic heteroaromatic chem. series with high potential in medicinal chem.

Organic Letters published new progress about Arylation (intramol., O-). 13958-99-1 belongs to class amides-buliding-blocks, name is 3-Bromoisonicotinamide, and the molecular formula is C6H5BrN2O, COA of Formula: C6H5BrN2O.

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

Mei, Yong-Kang published the artcilePhoto-Induced Construction of N-Aryl Amides by Fe Catalysis, Category: amides-buliding-blocks, the main research area is aryl amide preparation; methoxyamide arylboronic acid photo electrophilic amidation iron catalyst.

A photo-induced electrophilic amidation reaction with N-methoxyamides RC(O)NHOMe (R = Ph, 3-chlorophenyl, 2-thienyl, etc.) and arylboronic acids R1B(OH)2 (R1 = Ph, 3-bromophenyl, 3-thienyl, etc.) at low temperature using a simple iron salt as the catalyst precursor to N-aryl amides RC(O)NHR1 has been described. Initial mechanistic studies suggested that crucial amide radical species was involved.

European Journal of Organic Chemistry published new progress about Amidation (electrophilic). 7465-88-5 belongs to class amides-buliding-blocks, name is 4-Methoxy-N-phenylbenzamide, and the molecular formula is C14H13NO2, Category: amides-buliding-blocks.

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

Wilding, Birgit published the artcileInvestigating the phosphinic acid tripeptide mimetic DG013A as a tool compound inhibitor of the M1-aminopeptidase ERAP1, Quality Control of 343338-28-3, the main research area is phosphinic acid tripeptide mimetic enantioselective synthesis inhibitor aminopeptidase ERAP1; peptidomimetic phosphinic acid library synthesis tool probe; chirality condensation protection phospha Michael addition epimerization resolution; enzyme inhibitor structure activity drug discovery target permeability; ERAP1 DG013A bound crystal structure mol docking antitumor agent; Chemical probe; DG013A; ERAP1; M1-aminopeptidase; Permeability.

ERAP1 is a zinc-dependent M1-aminopeptidase that trims lipophilic amino acids from the N-terminus of peptides. Owing to its importance in the processing of antigens and regulation of the adaptive immune response, dysregulation of the highly polymorphic ERAP1 has been implicated in autoimmune disease and cancer. To test this hypothesis and establish the role of ERAP1 in these disease areas, high affinity, cell permeable and selective chem. probes are essential. DG013A 1, is a phosphinic acid tripeptide mimetic inhibitor with reported low nanomolar affinity for ERAP1. However, this chemotype is a privileged structure for binding to various metal-dependent peptidases and contains a highly charged phosphinic acid moiety, so it was unclear whether it would display the high selectivity and passive permeability required for a chem. probe. Therefore, we designed a new stereoselective route to synthesize a library of DG013A 1 analogs to determine the suitability of this compound as a cellular chem. probe to validate ERAP1 as a drug discovery target.

Bioorganic & Medicinal Chemistry Letters published new progress about (Benzyloxy)carbonyl group. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Quality Control of 343338-28-3.

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