Tag: 200-300

Darvishi, Atefeh; Bakhshi, Hadi; Heydari, Akbar published an article in 2022, the title of the article was Innovative application of magnetically modified bovine horn as a natural keratin resource in the role of value-added organocatalyst.Application In Synthesis of 1,3-Diphenylurea And the article contains the following content:

This study presents the conversion of bovine horn powder (BHP) as an available and low-cost waste material to a value-added highly recyclable catalyst. This green catalyst was prepared through the immobilization of BHP, as a natural keratin resource, on the magnetic Fe3O4 nanoparticles. The successful preparation of the catalyst was fully investigated using Fourier transform IR, X-ray diffraction, and energy-dispersive X-ray spectroscopies as well as field emission SEM, vibrating sample magnetometry, and thermogravimetry. The catalytic efficiency of the prepared magnetic organocatalyst was evaluated in the synthesis of a large series of amide derivatives through the solvent-free transamidation reaction of different amides and amines with yields of 75-96%. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).Application In Synthesis of 1,3-Diphenylurea

The Article related to magnetically modified bovine horn natural keratin organocatalyst, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Application In Synthesis of 1,3-Diphenylurea

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

Shaifali; Sheetal; Bains, Rohit; Kumar, Ajay; Ram, Shankar; Das, Pralay published an article in 2020, the title of the article was Supported palladium catalyzed aminocarbonylation of aryl iodides employing bench-stable CO and NH3 surrogates.Synthetic Route of 102-07-8 And the article contains the following content:

A simple, efficient and phosphine free protocol for carbonylative synthesis of primary aromatic amides under polystyrene supported palladium (Pd@PS) nanoparticle (NP) catalyzed conditions has been demonstrated. Herein, instead of using two toxic and difficult to handle gases simultaneously, we have employed the solid, economical, bench stable oxalic acid as the CO source and ammonium carbamate as the NH3 source in a single pot reaction. For the first time, we have applied two non-gaseous surrogates simultaneously under heterogeneous catalyst (Pd@PS) conditions for the synthesis of primary amides using an easy to handle double-vial (DV) system. The developed strategy showed a good functional group tolerance towards a wide range of aryl iodides and afforded primary aromatic amides in good yields. The Pd@PS catalyst was easy to sep. and can be recycled up to four consecutive runs with small loss in catalytic activity. We have successfully extended the scope of the methodol. to the synthesis of isoindole-1,3-diones from 1,2-dihalobenzene, 2-halobenzoates and 2-halobenzoic acid following double and single carbonylative cyclization approaches. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).Synthetic Route of 102-07-8

The Article related to aryl iodide aminocarbonylation palladium polystyrene, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Synthetic Route of 102-07-8

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

On May 15, 2020, Hardouin, Christophe; Baillard, Sandrine; Bariere, Francois; Craquelin, Anthony; Grandjean, Mathieu; Janvier, Solenn; Le Roux, Stephane; Penloup, Christine; Russo, Olivier published an article.Quality Control of 3-Nitro-4-chlorobenzenesulfonamide The title of the article was Multikilogram Synthesis of a Potent Dual Bcl-2/Bcl-xL Antagonist. 2. Manufacture of the 1,3-Diamine Moiety and Improvement of the Final Coupling Reaction. And the article contained the following:

This paper describes the synthesis of kilogram quantities of the sulfonamide moiety I involved in a coupling reaction with acid moiety II to provide batches of drug candidate III for preclin. studies and first-in-human clin. trials. A first approach relying on a chiral separation furnished the desired enantiomer of 1,3-diamine IV, precursor of sulfonamide I. An enantiomeric synthesis of IV using the Ellman’s chiral auxiliary coupled with an aza-Reformatsky reaction to control the stereochem. is also discussed. Coupling conditions of the final step involving EDCI to provide III under a cGMP process are detailed. An alternative approach using N-(1-methanesulfonyl)benzotriazole is also presented. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Quality Control of 3-Nitro-4-chlorobenzenesulfonamide

The Article related to acylsulfonamide diamine telescoped process aza reformatsky coupling chemoselective amination, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Quality Control of 3-Nitro-4-chlorobenzenesulfonamide

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

On June 23, 2016, Ombrato, Rosella; Garofalo, Barbara; Mangano, Giorgina; Capezzone de Joannon, Alessandra; Corso, Gaia; Cavarischia, Claudia; Furlotti, Guido; Iacoangeli, Tommaso published a patent.Formula: C11H9NO3 The title of the patent was Antibacterial compounds having broad spectrum of activity. And the patent contained the following:

The present invention relates to novel antibacterial compounds, I (R1 = H, halo, OH, C1-3 alkyl, C1-3 alkoxy, C1-3 alkyl-OH, carboxy, amido, etc.; L1 σ-bond, CH2, O, NH, etc.; Y = C1-6 alkylenyl, NH-C1-6 alkylenyl, C4-5 cycloaklenyl, etc.; L2 = σ-bond, NH, NH-C1-6 alkylenyl, etc.,; A = fused bicyclic group, etc.; B = fused bicyclic or tricyclic functional group, etc.; G1, G2 = CH, N, etc.), pharmaceutical compositions containing them and their use as antimicrobials. The experimental process involved the reaction of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione(cas: 5455-98-1).Formula: C11H9NO3

The Article related to piperazine chromene derivative preparation antibacterial activity, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Formula: C11H9NO3

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

On April 19, 2019, Ku, Yi-Yin; Chan, Vincent S.; Christesen, Alan; Grieme, Timothy; Mulhern, Mathew; Pu, Yu-Ming; Wendt, Michael D. published an article.Recommanded Product: 3-Nitro-4-chlorobenzenesulfonamide The title of the article was Development of a Convergent Large-Scale Synthesis for Venetoclax, a First-in-Class BCL-2 Selective Inhibitor. And the article contained the following:

The process development of a new synthetic route leading to an efficient and robust synthetic process for venetoclax (1: the active pharmaceutical ingredient (API) in Venclexta) is described. The redesigned synthesis features a Buchwald-Hartwig amination to construct the core ester 23c (2 tert-Bu ester) in a convergent fashion by connecting two key building blocks (4c and 26), which is then followed by a uniquely effective saponification reaction of 23c using anhydrous hydroxide generated in situ to obtain 2. Finally, the coupling of the penultimate core acid 2 with sulfonamide 3 furnishes drug substance 1 with consistently high quality. The challenges and solutions for the key Pd-catalyzed C-N cross-coupling will also be discussed in detail. The improved synthesis overcomes many of the initial scale-up challenges and was accomplished in 46% overall yield from 3,3-dimethyldicyclohexanone (6), more than doubling the overall yield of the first generation route. The new process was successfully implemented for producing large quantities of 1 with >99% area purity. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Recommanded Product: 3-Nitro-4-chlorobenzenesulfonamide

The Article related to venetoclax large scale synthesis buchwald hartwig amination, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Recommanded Product: 3-Nitro-4-chlorobenzenesulfonamide

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

On December 13, 2012, Su, Wei-Guo; Deng, Wei; Ji, Jianguo published a patent.Application of 5455-98-1 The title of the patent was Preparation of pyridopyrazine derivatives for use as Syk inhibitors. And the patent contained the following:

Title compounds I [each R1 independently = H, halo, CN, OH, (un)substituted alkyl, etc.; R2 = NH2, OH, C(O)H, (un)substituted alkyl, etc.; R3 and R4 independently = H, (un)substituted alkyl, cycloalkyl, aryl, heteroaryl, or heterocyclyl; or together with the N to which they are attached form an (un)substituted monocyclic, fused bicyclic, or spirocyclic ring optionally containing 1-3 heteroatoms selected from n, o, or S], and their pharmaceutically acceptable salts, are prepared and disclosed as Syk inhibitors. Thus, e.g., II was prepared by a multistep procedure (preparation given). Select I were evaluated in Syk kinase assays, e.g., II demonstrated an IC50 value in the range of 0.001 to <0.1 μM. The experimental process involved the reaction of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione(cas: 5455-98-1).Application of 5455-98-1

The Article related to pyridopyrazine derivative preparation syk inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Application of 5455-98-1

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

On September 21, 2017, Mei, Congmin; Li, Xu; Liu, Lihuai; Cao, Changsheng; Pang, Guangsheng; Shi, Yanhui published an article.Related Products of 5455-98-1 The title of the article was Selectively synthesis of cyclic di- and trithiocarbonates by N-heterocyclic carbene/LiCl(Br) catalyzed addition of carbon disulfide to epoxides. And the article contained the following:

Carbon disulfide is an abundant, inexpensive and readily available material. One of the main challenges in the reaction of epoxides with CS2 is to control the chemoselectivity as a variety of compounds would be formed in the reaction. A simple and convenient method toward selectively synthesis of oxathiolane and trithiocarbonate from epoxides with CS2 catalyzed by NHC/LiCl(Br) under the neat conditions was developed. This catalytic system exhibits excellent activity and selectivity in cycloaddition reactions of carbon disulfide to terminal epoxides. The experimental process involved the reaction of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione(cas: 5455-98-1).Related Products of 5455-98-1

The Article related to heterocyclic carbene catalyst carbon disulfide epoxide cycloaddition, dithiocarbonate preparation, trithiocarbonate preparation, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.Related Products of 5455-98-1

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

Vasin, V. S.; Koldaeva, T. Yu.; Perevalov, V. P. published an article in 2012, the title of the article was Synthesis of derivatives of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid containing sulfonamide group in phenyl moiety.Quality Control of 3-Nitro-4-chlorobenzenesulfonamide And the article contains the following content:

The method of synthesis of I from 3,5-diamino-4-chlorobenzoic acid and N-phenylamide of 3-amino-4-hydroxybenzenesulfonic acid was developed. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Quality Control of 3-Nitro-4-chlorobenzenesulfonamide

The Article related to hydroxyphenyl benzotriazolecarboxylic acid sulfonamide preparation, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.Quality Control of 3-Nitro-4-chlorobenzenesulfonamide

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

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