Month: October 2022

Delgado, Gerzon E.; Guillen, Marilia; Ramirez, Jeans W.; Mora, Asiloe J.; Contreras, Jines E.; Chacon, Cecilia published an article in 2016, the title of the article was X-ray powder diffraction data for the N-acylamino acids: ortho, meta, and para-methyl hippuric acids.Recommanded Product: 2-(4-Methylbenzamido)acetic acid And the article contains the following content:

N-acylamino acid isomers: ortho, meta, and para-methylhippuric acids, are specific xylene metabolites. Here, we report X-ray powder diffraction data, unit-cell parameters, and space groups for the three isomer (C10H11NO3), [ortho-methylhippuric acid 2 mHA, monoclinic P21/n cell, a = 8.522(1), b = 10.443(1), c = 10.734(1) Å, β = 92.43(1)°, V = 954.5(1) Å3; meta-methylhippuric acid 3 mHA, monoclinic C2/c cell a = 20.0951(2), b = 10.485(1), c = 10.074(2) Å, β = 119.08(1)°, V = 1933.9(1) Å3; para-methylhippuric acid 4 mHA, orthorhombic P212121 cell, a = 5.1794(7), b = 8.279(1), c = 22.276(2) Å, V = 955.2(2) Å3], space group. In each case, all measured diffraction peaks were indexed and are consistent with the corresponding space group. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Recommanded Product: 2-(4-Methylbenzamido)acetic acid

The Article related to xray powder diffraction methyl hippuric acylamino acid, Crystallography and Liquid Crystals: Polytypism, Polymorphism, Crystal Phase Transitions, Ordering, Amorphization and other aspects.Recommanded Product: 2-(4-Methylbenzamido)acetic acid

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

On October 10, 2019, Liu, Kai; Li, Nian; Ning, Yunyun; Zhu, Chengjian; Xie, Jin published an article.Recommanded Product: 97-09-6 The title of the article was Gold-Catalyzed Oxidative Biaryl Cross-Coupling of Organometallics. And the article contained the following:

A general dimeric gold-catalyzed oxidative cross-coupling of arylboronates ArB(-OCH2C(CH3)2CH2O-) (Ar = 3-methoxyphenyl, naphthalen-2-yl, 8-thiatricyclo[7.4.0.0(2,7)]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl, etc.) and arylsilanes Ar1Si(CH3)3 (Ar1 = 4-iodophenyl, 4-(trifluoromethanesulfonyloxy)phenyl, 2,3-dimethylphenyl, etc.) without an external base for the synthesis, with excellent functional-group tolerance of asym. biaryls ArAr1 was reported. Both coupling partners are readily available, bench-stable, and non-toxic. A broad array of (pseudo)halogenated and borylated coupling partners can be successfully applied to this site-specific biaryl coupling with unprecedented versatility. Its synthetic value has been substantiated by concise preparation of several π-conjugated organic materials and pharmacophores. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Recommanded Product: 97-09-6

The Article related to biaryl preparation green chem, boronate aryl silane oxidative suzuki miyaura gold catalyst, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Hydrocarbons (Saturated and Unsaturated Side Chains) and other aspects.Recommanded Product: 97-09-6

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

On September 17, 2009, Soltani, Omid; Ariger, Martin A.; Carreira, Erick M. published an article.Electric Literature of 167316-28-1 The title of the article was Transfer hydrogenation in water: enantioselective, catalytic reduction of (E)-β,β-disubstituted nitroalkenes. And the article contained the following:

A mild catalytic asym. transfer hydrogenation of β,β-disubstituted nitroalkenes is reported. Formic acid is used as a reductant in combination with an Ir catalyst. The reaction is conducted in water at low pH and open to air to give adducts in preparatively useful yield and selectivity. The experimental process involved the reaction of N-[(1S,2S)-2-Amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide(cas: 167316-28-1).Electric Literature of 167316-28-1

The Article related to nitropropylbenzene asym preparation, nitropropenylbenzene asym transfer hydrogenation iridium, iridium asym transfer hydrogenation catalyst, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Hydrocarbons (Saturated and Unsaturated Side Chains) and other aspects.Electric Literature of 167316-28-1

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

On June 16, 1980, Swinehart, Jacquelyn A.; Stermitz, Frank R. published an article.HPLC of Formula: 456-12-2 The title of the article was Constituents of Zanthoxylum. Part 4. Bishordeninyl terpene alkaloids and other constituents of Zanthoxylum culantrillo and Z. coriaceum. And the article contained the following:

Thin-layer chromatog. and NMR, UV, and mass spectrometry revealed the new alkaloid, culantraramine (I), in Z. culantrillo stems, together with (+)-eudesmin, (-)-epieudesmin, hordenine, (-)-N-methyliscorydine, magnoflorine, candicine, skimmianine, synephrine, tembetarine, and a dihydroxydimethoxytetrahydroprotoberberine. Isolated from Z. coriaceum were (-)-N-methylisocorydine, dihydrochelerythrine, chelerythrine, N-methylcanadine, (±)-aegeline, and (±)-alfileramine (II). The experimental process involved the reaction of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide(cas: 456-12-2).HPLC of Formula: 456-12-2

The Article related to zanthoxylum bishordeninyl terpene alkaloid structure, culantraramine zanthoxylum structure, Alkaloids: Alkaloids Containing Two Nitrogen Atoms In A Simple Combination Of Those Found In Subsections 2, 3, and 4 and other aspects.HPLC of Formula: 456-12-2

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

Somanathan, Ratnasamy; Aguilar, Hugo R.; Ventura, G. Rodriguez; Smith, Kevin M. published an article in 1983, the title of the article was Syntheses of natural hydroxyamides using trimethylsilyl cyanide.Application In Synthesis of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide And the article contains the following content:

Addition of Me3SiCN to p-anisaldehyde gave 64% p-MeOC6H4CH(CN)OSiMe3, which was reduced to give p-MeOC6H4CH(OH)CH2NH2 (I). Acylation of I with RCOCl gave 77-92% tembamide (I, R = Ph), aegeline (I, R = styryl), and I [R = 3-pyridyl, Me(CH2)7]. The experimental process involved the reaction of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide(cas: 456-12-2).Application In Synthesis of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide

The Article related to silyl cyanide synthetic reagent, hydroxyamide naturally occurring, amide hydroxy naturally occurring, tembamide aegeline, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.Application In Synthesis of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide

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

Bi, Wen-Zhu; Zhang, Wen-Jie; Li, Chen-Yu; Shao, Lu-Hao; Liu, Qing-Pu; Feng, Su-Xiang; Geng, Yang; Chen, Xiao-Lan; Qu, Ling-Bo published an article in 2022, the title of the article was Photoexcited sulfenylation of C(sp3)-H bonds in amides using thiosulfonates.Product Details of 685-91-6 And the article contains the following content:

A photoexcited sulfenylation of C(sp3)-H bonds in amides was developed for the synthesis of sulfenyl amides R1C(O)NR2CHR3SR4 [R1 = Me, Et, Ph; R2 = Me, Et; R3 = H, Me; R4 = Ph, Bn, 4-MeOC6H4, etc.] using thiosulfonates as a sulfur source. In the presence of easily available and inexpensive Na2-eosin Y, TBHP and potassium carbonate, various sulfenyl amides R1C(O)NR2CHR3SR4 could be obtained under the irradiation of blue light at room temperature The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Product Details of 685-91-6

The Article related to alkyl arylsulfanylmethyl amide preparation, benzenesulfonylsulfanyl aryl amide sulfenylation catalyst disodium eosin yellow, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ethers, Sulfides, and The Corresponding Onium Compounds and other aspects.Product Details of 685-91-6

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

Li, Kai; Tang, Jing; He, Yang; Guo, Jianmin; Li, Laicai published an article in 2021, the title of the article was Theoretical study on the adsorption and catalytic degradation mechanism of sulfacetamide on anatase TiO2(001) and (101) surfaces.Application of 144-80-9 And the article contains the following content:

D. functional theory (DFT) calculations are used to explore the adsorption characteristics and degradation mechanism of sulfacetamide on anatase TiO2(101) and (001) surfaces. The most probable adsorption configuration was firstly determined by comparing the adsorption energies and structural bond lengths before and after adsorption. After adsorption, some of the bond lengths are elongated. We have proposed about six possible degradation pathways of sulfacetamide, such as branch chain breaking, benzene ring dihydroxylation, amino substitution and sulfur nitrogen bond breaking. And the relevant degradation processes are studied in detail. Based on the calculated results, we conclude that the TiO2(001) surface is more suitable for the degradation of sulfacetamide considering its much smaller energy barriers in several degradation paths than the TiO2(101). Among all the six possible degradation paths, we find that the hydroxyl radical attacks of C(1), C(3) and N(6) atoms of the (001) surface and the C(4) atom of (101) surface sulfacetamide are most probable reaction pathways due to their much smaller energy barriers, i.e. 7.7, 26.1 kcal mol-1 and 14.6, 23.4 kcal mol-1 indicating that these reactions can easily take place in room temperature Our computational results are not only consistent with the exptl. results of sulfacetamide degradation, but also reveal the possible microscopic mechanisms of the photocatalytic reaction. The experimental process involved the reaction of N-((4-Aminophenyl)sulfonyl)acetamide(cas: 144-80-9).Application of 144-80-9

The Article related to sulfacetamide anatase titania adsorption catalytic degradation mechanism, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Application of 144-80-9

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

On September 30, 2022, Tan, Tian; Cheng, Hongye; Chen, Guzhong; Song, Zhen; Qi, Zhiwen published an article.Application In Synthesis of N,N-Diethylacetamide The title of the article was Prediction of infinite-dilution activity coefficients with neural collaborative filtering. And the article contained the following:

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. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Application In Synthesis of N,N-Diethylacetamide

The Article related to prediction infinite dilution activity coefficient neural collaborative filtering, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Application In Synthesis of N,N-Diethylacetamide

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

On August 31, 2021, Carvalho, Fernando Marques; So, Yuri Alves de Oliveira; Wernik, Alessandra Sofia Kiametis; Silva, Monica de Abreu; Gargano, Ricardo published an article.Computed Properties of 144-80-9 The title of the article was Accurate acid dissociation constant (pKa) calculation for the sulfachloropyridazine and similar molecules. And the article contained the following:

Accurate calculation of the acid dissociation constant (pKa) has fundamental importance for the description of mol. systems with pharmacol. activities. The search for a more appropriate procedure for its determination is always welcome and has aroused increasing interest from the scientific community. In this sense, this work presents a computational study involving the combination of ten DFT functionals (M062X, M06L, B3LYP, BLYP, PBEPBE, BP86, LC-BLYP, SPBE, CAM-B3LYP, LC-PBEPBE) and HF method, eight basis set functions (6-311G, 6-311 + G, 6-311G(d,p), 6-311 + G(d,p), 6-311+ +G(d,p), 6-311(2d,2p), 6-311+ +G(2d,2p), and aug-cc-pVDZ), and three solvation models (SMD, PCM, and CPCM) for an accurate sulfachloropyridazine (SCR) pKa determination It was found that the smallest deviation (0.02 unit of pKa) between the current study and exptl. result was achieved with the BLYP/6-311 + G(d,p)/PCM combination. Therefore, this combination was extended to calculate the pKa of six SCR similar mols. selected through the eletroshape similarity method. For all these mols., the difference between the obtained results and exptl. data ranged between 0.14 and 0.69 units of pKa. This feature suggests that the obtained combination can determine pKa with exptl. precision for complexes that are formed by sulfonamide functional group (SO2NHR). The experimental process involved the reaction of N-((4-Aminophenyl)sulfonyl)acetamide(cas: 144-80-9).Computed Properties of 144-80-9

The Article related to sulfonamide dissociation constant deprotonation substituent effect, acid dissociation constant (pka), dft, electroshape similarity, sulfonamide molecules, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Computed Properties of 144-80-9

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

On July 20, 2020, Persson, Ingmar; Lundberg, Daniel; Bajnoczi, Eva G.; Klementiev, Konstantin; Just, Justus; Sigfridsson Clauss, Kajsa G. V. published an article.Computed Properties of 685-91-6 The title of the article was EXAFS Study on the Coordination Chemistry of the Solvated Copper(II) Ion in a Series of Oxygen Donor Solvents. And the article contained the following:

The structures of the solvated Cu(II) ion in H2O and nine organic oxygen donor solvents with similar electron-pair donor ability, but with different space-demanding properties at coordination, were studied by EXAFS. N,N’-Dimethylpropyleneurea and N,N,N’,N’-tetramethylurea are sufficiently space demanding at coordination to make the axial positions not accessible, resulting in square-planar Cu(II) solvate complexes with an intense green color. The mean Cu-O bond distances in these two solvate complexes are 1.939(3) and 1.935(3) Å, resp. The best fits of the remaining solvates, which are light blue in different hues, were obtained with a Jahn-Teller distorted-octahedral model consisting of four strongly bound solvent mols. in the equatorial positions at 1.96(2) Å and two in the axial positions but with different Cu-Oax bond distances: ∼2.15 and 2.32 Å. This is in agreement with observations in solid-state structures of compounds containing hexaaquacopper(II) complexes crystallizing in noncentrosym. space groups and all reported crystal structures containing a [Cu(H2O)5(O-ligand)] complex with Jahn-Teller distortion. Such a structure is in agreement with previous EPR and EXAFS studies proving the hydrated Cu(II) ion to be a noncentrosym. complex in aqueous solution The refinements of the EXAFS data of the solids [Cu(H2O)6](ClO4)2, [Cu(H2O)6](BrO3)2, [Cu(H2O)6]SiF6, Cu(NO3)2·2.5H2O, and CuSO4·5H2O gave Cu-O bond distances significantly different from those reported in the crystallog. studies but similar to the configuration and bond distances in the hydrated Cu(II) ion in aqueous solution This may depend on whether the orientation of the axial positions is random in one or three dimensions, giving a mean structure of the solid with symmetry higher than that of the individual complexes. This study presents the very 1st exptl. data from the new x-ray absorption spectroscopy beamline Balder at the MAX IV synchrotron radiation facility in Lund, Sweden, as well as the used properties of the beamline. The coordination chem. of the solvated Cu(II) ion was studied in 10 solvents, including H2O. The Cu(II) ion has a noncentrosym. Jahn-Teller distorted-octahedral geometry with the axial Cu-O bond distances differing by ∼0.2 Å. The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Computed Properties of 685-91-6

The Article related to crystal structure copper dimethylpropyleneurea complex, exafs copper aqua solvated oxygen donor solvent, Optical, Electron, and Mass Spectroscopy and Other Related Properties: Electron, X-Ray, and Photoelectron Spectroscopy and other aspects.Computed Properties of 685-91-6

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