Category: amides-buliding-blocks

Ke, Fang published the artcileElectrochemical N-acylation synthesis of amides under aqueous conditions, Formula: C14H13NO2, the main research area is amide chemoselective preparation; carboxylic acid amine electrochem acylation.

An electrochem. N-acylation of carboxylic acids with amines was reported for the synthesis of amides I [R1 = H, 4-CN, 2-I, etc.; R2 = H, 4-Me, 4-Cl, etc.]. The sustainable TBAB electrocatalysis proceeded with excellent chemoselectivity and positional selectivity, and with ample scope, allowing electrochem. N-acylation under mild reaction conditions at room temperature in water. Moreover, the synthetic utility of the current method was demonstrated by the synthesis of melatonin.

Green Chemistry published new progress about Acylation. 7465-88-5 belongs to class amides-buliding-blocks, name is 4-Methoxy-N-phenylbenzamide, and the molecular formula is C14H13NO2, Formula: C14H13NO2.

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

Tan, Tian published the artcilePrediction of infinite-dilution activity coefficients with neural collaborative filtering, Name: N-Methylformamide, the main research area is prediction infinite dilution activity coefficient neural collaborative filtering.

Accurate prediction of infinite dilution activity coefficient (γ∞) for phase equilibrium and process design is crucial. In this work, an exptl. γ∞ dataset containing 295 solutes and 407 solvents (21,048 points) is obtained through data integrating, cleaning, and filtering. The dataset is arranged as a sparse matrix with solutes and solvents as columns and rows, resp. Neural collaborative filtering (NCF), a modern matrix completion technique based on deep learning, is proposed to fully fill in the γ∞ matrix. Ten-fold cross-validation is performed on the collected dataset to test the effectiveness of the proposed NCF, proving that NCF outperforms the state-of-the-art phys. model and previous machine learning model. The completed γ∞ matrix makes solvent screening and extension of UNIFAC parameters possible. Taking two typical hard-to-sep. systems (benzene/cyclohexane and Me cyclopentane/n-hexane mixtures) as examples, the NCF-developed database provides high-throughput screening for separation systems in terms of solvent selectivity and capacity.

AIChE Journal published new progress about Algorithm. 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

Vracko, M. published the artcileComparison of predictions of developmental toxicity for compounds of solvent data set, Application of N-Methylformamide, the main research area is developmental toxicity solvents data set artificial neural network; Developmental toxicity; Kohonen artificial neural network; VEGA HUB CAESAR model; VEGA HUB PG model; solvents.

We have considered a series of 235 compounds tech. classified as solvents. Chem., they belong to different classes. Their potential developmental toxicity was evaluated using two models available on platform VEGA HUB; model CAESAR and the Developmental/ Reproductive Toxicity library (PG) model. Models provide beside the prediction of developmental toxicity addnl. information on similar compounds from models training sets. In the report, first, we compare the predictions. Second, the sets of similar compounds have been used to implement the clustering scheme. The Kohonen artificial neural network method has been applied as a clustering method. The clusters obtained have been discussed for both models.

SAR and QSAR in Environmental Research published new progress about Algorithm. 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

Fu, Zhengqiang published the artcileManganese Catalyzed Direct Amidation of Esters with Amines, Computed Properties of 7465-88-5, the main research area is amide preparation; ester amine amidation manganese catalyst.

The transition metal catalyzed amide bond forming reaction of esters with amines has been developed as an advanced approach for overcoming the shortcomings of traditional methods. The broad scope of substrates in transition metal catalyzed amidations remains a challenge. Here, a manganese(I)-catalyzed method for the direct synthesis of amides from a various number of esters and amines is reported with unprecedented substrate scope using a low catalyst loading. A wide range of aromatic, aliphatic, and heterocyclic esters, even in fatty acid esters, reacted with a diverse range of primary aryl amines, primary alkyl amines, and secondary alkyl amines to form amides. It is noteworthy that this approach provides the first example of the transition metal catalyzed amide bond forming reaction from fatty acid esters and amines. The acid-base mechanism for the manganese(I)-catalyzed direct amidation of esters with amines was elucidated by DFT calculations

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

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

Zheng, Bin published the artcileStereoselective synthesis of a tubulysin core for antibody-drug conjugate studies, Computed Properties of 343338-28-3, the main research area is tripeptide enantioselective synthesis tubulysin core antibody drug conjugate; peptide coupling amidation hydrosilation sulfinimine steric effect.

An expeditious synthesis of an advanced tripeptide intermediate en route to a tubulysin antibody-drug conjugate payload is described. The efficient formation of an N-Pr tertiary amide required tailoring the amine component to reduce steric demand. Addnl., double activation of the carboxylate was required via an aluminum-Lewis acid coupled activated ester strategy to enable the formation of the highly congested amide bond with superior retention of stereochem. integrity. Other permutations of reactant structure and reagents met with failure. The realization of this key direct bond construction enabled a convergent solution-phase synthesis of the unnatural tubulysin tripeptide in a highly convergent manner from three simple building blocks in eight steps and 22.4% overall yield utilizing only a single silica gel chromatog. purification

Organic Process Research & Development published new progress about Amidation. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Computed Properties of 343338-28-3.

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

Li, Guangchen published the artcileHighly Chemoselective, Transition-Metal-Free Transamidation of Unactivated Amides and Direct Amidation of Alkyl Esters by N-C/O-C Cleavage, Recommanded Product: 4-Methoxy-N-phenylbenzamide, the main research area is chemoselective transamidation unactivated amide amidation alkyl ester.

The amide bond is one of the most fundamental functional groups in chem. and biol. and plays a central role in numerous processes harnessed to streamline the synthesis of key pharmaceutical and industrial mols. Although the synthesis of amides is one of the most frequently performed reactions by academic and industrial scientists, the direct transamidation of tertiary amides is challenging due to unfavorable kinetic and thermodn. contributions of the process. Herein, we report the first general, mild, and highly chemoselective method for transamidation of unactivated tertiary amides by a direct acyl N-C bond cleavage with non-nucleophilic amines. This operationally simple method is performed in the absence of transition metals and operates under unusually mild reaction conditions. In this context, we further describe the direct amidation of abundant alkyl esters to afford amide bonds with exquisite selectivity by acyl C-O bond cleavage. The utility of this process is showcased by a broad scope of the method, including various sensitive functional groups, late-stage modification, and the synthesis of drug mols. (>80 examples). Remarkable selectivity toward different functional groups and within different amide and ester electrophiles that is not feasible using existing methods was observed Extensive exptl. and computational studies were conducted to provide insight into the mechanism and the origins of high selectivity. We further present a series of guidelines to predict the reactivity of amides and esters in the synthesis of valuable amide bonds by this user-friendly process. In light of the importance of the amide bond in organic synthesis and major practical advantages of this method, the study opens up new opportunities in the synthesis of pivotal amide bonds in a broad range of chem. contexts.

Journal of the American Chemical Society published new progress about Amidation. 7465-88-5 belongs to class amides-buliding-blocks, name is 4-Methoxy-N-phenylbenzamide, and the molecular formula is C14H13NO2, Recommanded Product: 4-Methoxy-N-phenylbenzamide.

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

Ghamari kargar, Pouya published the artcileA porous metal-organic framework (Ni-MOF): An efficient and recyclable catalyst for cascade oxidative amidation of alcohols by amines under ultrasound-irradiations, Application of 4-Methoxy-N-phenylbenzamide, the main research area is nickel metal organic framework surface area amidation green chem.

A novel and green protocol was developed for the synthesis of amides via the reaction of benzyl alcs. with amines in the presence of Ni-MOF named UoB-8 as catalyst. The morphol., structural, and physicochem. characteristics of the Ni-MOF were investigated by FT-IR, XRD, FESEM, EDX, TEM, BET, CHN and ICP analyses. The products were obtained in good to excellent yields, with short reaction times, under ultrasound irradiation (40 °C) in ethanol as solvent. In addition, low-cost catalyst was recovered and reused at least 5 times without detecting a noticeable reduction in efficiency.

Molecular Catalysis published new progress about Amidation. 7465-88-5 belongs to class amides-buliding-blocks, name is 4-Methoxy-N-phenylbenzamide, and the molecular formula is C14H13NO2, Application of 4-Methoxy-N-phenylbenzamide.

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

Zhang, Deyi published the artcileHalogen Bond Involved Post-Treatment for Improved Performance of Printable Hole-Conductor-Free Mesoscopic Perovskite Solar Cells, Synthetic Route of 123-39-7, the main research area is post treatment mesoscopic perovskite solar cell.

Perovskite solar cells (PSCs) are considered to be the most promising next-generation photovoltaic technol. Among all the configurations of PSCs, the printable hole-conductor-free mesoscopic PSC (p-MPSC) has unique advantages on low cost, large-area fabrication and fabulous stability, which endows it with the greatest potential for industrialization. The interfacial recombination losses, especially at the perovskite/carbon interface, are the bottleneck for further improving the power conversion efficiency (PCE) of p-MPSCs. 2-Bromo-6-fluoronaphthalene is introduced as an interfacial modulator for p-MPSCs through post-treatment. The bromo-terminal acts as an electrophilic site to interact with the iodine ion in perovskite via the noncovalent halogen bond. Meanwhile, the fused ring of naphthalene is capable to accommodate electron d. that is attracted from the perovskite. This interaction induces a more favorable band structure at the interface. The hole extraction is promoted and the interfacial nonradiative recombination is inhibited. Accordingly, a champion p-MPSC with an improved PCE of 16.77% from 15.50% of the pristine device is obtained.

Solar RRL published new progress about Absorption. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Synthetic Route of 123-39-7.

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

Belic, Sanja published the artcileThermochromic behaviour and thermodynamics of cobalt(II) chloride complexes in ammonium nitrate + N-methylformamide mixture, Computed Properties of 123-39-7, the main research area is cobalt chloride complex ammonium nitrate methylformamide mixture thermodn.

In this paper thermochromic features of cobalt(II) were investigated in the binary mixture containing inorganic salt (ammonium nitrate) and mol. solvent (N-methylformamide) in order to find responsive thermochromic medium for possible application in a greenhouses for auto-regulated shading and solar protection. Absorption spectra of cobalt(II) in the NH4NO3 + zNMF (z = 3, 4, 5, 6 and 20) binary mixtures were recorded in the visible wavelength range in the presence of different cobalt(II) and chloride concentrations at five selected temperatures: 308.15; 318.15; 328.15; 338.15 and 348.15 K. From the obtained spectra, geometry, composition and speciation of the complexes were discussed. Influences of the temperatureand mixture composition on the absorption spectra were also analyzed. From an anal. of the spectra using two computer programs, it was concluded that the following complexes were formed: [Co(NO3)4(NMF)2]2-, [CoCl3(NO3)(NMF)2]2-and [CoCl4]2-. For these complexes stability constants were determined at all temperatures Thermodn.parameters were also calculated using the temperaturedependence of calculated stability constants

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

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

Sun, Lihua published the artcileSolubility, density and refractive index of formamide/N-methylformamide/N, N-dimethylformamide + rubidium bromide/cesium bromide + water ternary systems, Recommanded Product: N-Methylformamide, the main research area is formamide DMF rubidium bromide water ternary system refractive index.

The Solubility, d. and refractive index of the formamide(FA)/N-methylformamide(NMF)/N,N-dimethylformamide(DMF) + rubidim bromide/cesium bromide+ water ternary systems were determined at (283.15, 298.15 and 313.15) K. The solubility of the RbBr and CsBr decrease significantly when adding amides into the aqueous solution The variation trend of d. is consistent with solubility, and the change of the refractive index is different. The isothermal exptl. solubility was correlated by the NRTL model and the UNIQUAC model. The isothermal solubility, d. and refractive index of the ternary systems were fitted by the four parameter equation. Moreover, the mean activity coefficients of the FA/NMF/DMF + RbBr/CsBr + H2O systems at exptl. temperatures were obtained through the UNIQUAC model. Besides, to investigate the temperature effect on the solid-liquid equilibrium, the multiple temperatures solubility was fitted by the modified Apelbl at equation and the λh equation.

Journal of Molecular Liquids published new progress about Absorption. 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