Month: November 2022

On January 5, 2021, Li, Yanxiong; Meng, Faming; Xu, Liang; Guo, Jun published a patent.Formula: C9H11NO2 The title of the patent was Preparation method of aprepitant intermediate (2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine. And the patent contained the following:

The title preparation method includes mixing compound I ((R)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine), chiral catalyst, acid (protonic acid such as trifluoroacetic acid, acetic acid, etc.) and solvent (chloroform, dichloromethane, etc.) for reaction to obtain the final aprepitant intermediate (2R,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine (compound II). The chiral catalyst is compound including bis((S)-2-amino-2-oxo-1-phenylethyl) 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, bis((S)-2-(methylamino)-2-oxo-1-phenylethyl) 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, etc. The invention has high yield and product purity, and is environment-friendly. The experimental process involved the reaction of (S)-2-Hydroxy-N-methyl-2-phenylacetamide(cas: 65645-88-7).Formula: C9H11NO2

The Article related to aprepitant intermediate preparation, morpholine fluorophenyl preparation, Heterocyclic Compounds (More Than One Hetero Atom): Oxazines (Including Morpholine) and other aspects.Formula: C9H11NO2

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

Marshall, Sarah R.; Singh, Anmol; Wagner, Jacqueline N.; Busschaert, Nathalie published an article in 2020, the title of the article was Enhancing the selectivity of optical sensors using synthetic transmembrane ion transporters.Synthetic Route of 102-07-8 And the article contains the following content:

Herein, we introduce a new method to optimize the properties of optical sensors, coined the transporter-liposome-fluorophore (TLF) approach. It is shown that this approach can greatly improve the selectivity of the sensor, increase the dynamic range and maintain the sensitivity of the original fluorophore. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).Synthetic Route of 102-07-8

The Article related to enhancing selectivity optical sensor synthetic transmembrane ion transporter, Optical, Electron, and Mass Spectroscopy and Other Related Properties: Luminescence and other aspects.Synthetic Route of 102-07-8

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

Zhang, Qiao; Yuan, Hao-Yu; Lin, Xiao-Tao; Fukaya, Norihisa; Fujitani, Tadahiro; Sato, Kazuhiko; Choi, Jun-Chul published an article in 2020, the title of the article was Calcium carbide as a dehydrating agent for the synthesis of carbamates, glycerol carbonate, and cyclic carbonates from carbon dioxide.Synthetic Route of 102-07-8 And the article contains the following content:

Carbon dioxide (CO2) is a nontoxic and inexpensive C1 building block, which can be used for the synthesis of valuable chems. such as aromatic carbamates from anilines and methanol (MeOH), glycerol carbonate from glycerol, and cyclic carbonates from diols. However, these reactions generate water as the byproduct and suffer from thermodn. limits, which lead to low yields. Calcium carbide (CaC2) is a renewable chem., which can be recycled from calcium that is abundant in the Earth’s crust. Furthermore, CaC2 rapidly reacts with water. The authors used CaC2 as a dehydrating agent for the direct synthesis of carbamates (including polyurethane precursors) from amines, CO2, and MeOH. All reagents were com. available. In addition, CaC2 was employed for the synthesis of glycerol carbonate from glycerol and CO2 with a zinc catalyst and N-donor ligand. A similar protocol was applied to synthesize cyclic carbonates from diols and CO2. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).Synthetic Route of 102-07-8

The Article related to carbonate glycerol carbonate carbamate preparation calcium carbide carbon dioxide, Heterocyclic Compounds (More Than One Hetero Atom): Dioxoles, Oxathioles, Dithioles and other aspects.Synthetic Route of 102-07-8

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

On August 31, 2022, Adel M. Kamal El-Dean; Geies, Ahmed A.; Hassanien, Reda; Abdel-Wadood, Fatma K.; El-Naeem, Eman E. Abd published an article.Formula: C2H4ClNO The title of the article was Novel Synthesis, Reactions, and Biological Study of New Morpholino-Thieno[2,3-c][2,7]Naphthyridines as Anti-Cancer and Anti-Microbial Agents. And the article contained the following:

The biol. uses of 2,7-naphthyridines have sparked great attention in recent years. For this reason, a series of novel 2,7-naphthyridines derivatives was synthesized and explored their spectrum and biol. properties in this study. Compound I was prepared by the reaction of 1-Me piperidin-4-one with CS2, malononitrile, and triethylamine. The condensed I be converted to II by reaction with morpholine. Composite II was used as a starter in heterocyclic compound a series, such as the thieno[2,3-c][2,7]naphthyridines III (R = CN, COOEt, COPh, etc.). Authors used III (R = COOEt), III (R = CONH2) and III (R = CHO) as a precursor to create original heterocyclic moieties, namely: pyrimidothienonaphthyridino and pyridothieno naphthyridino in compounds A number of compounds for antimicrobial activity were examined against a variety of bacterial and fungal strains. In addition, some of these compounds showed anticancer activity in liver and cells of breast cancer. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Formula: C2H4ClNO

The Article related to morpholinothieno naphthyridine preparation antitumor antibacterial antifungal human, Heterocyclic Compounds (More Than One Hetero Atom): Oxazines (Including Morpholine) and other aspects.Formula: C2H4ClNO

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

On February 1, 2021, Cysewski, Piotr; Jelinski, Tomasz; Procek, Dominika; Dratwa, Aleksandra published an article.Application In Synthesis of N-((4-Aminophenyl)sulfonyl)acetamide The title of the article was Solubility of Sulfanilamide and Sulfacetamide in neat solvents: Measurements and interpretation using theoretical predictive models, first principle approach and artificial neural networks. And the article contained the following:

Solubilities of Sulfanilamide and Sulfacetamide in neat solvents were both measured and collected from the literature. The set comprising 35 systems was interpreted in terms of the empirical and semi-empirical predictive models including Buchowski-Ksiazczak model (λh-equation), extended Buchowski’s model (λβ-equation), modified Apelblat equation, van’t Hoff-Yaws model, Non-Random Two Liquid (NRTL) model, Wilson model and the Weibull two-parameter extrapolation model. The advantage of corrected Akaike information criterion was used for precise quantification of the quality of each model. It turned out that the lowest values of this measure were found for the Buchowski-Ksiazczak approach indicating the best correlation with exptl. solubility data. Interestingly, λβ-equation and van’t Hoff-Yaws model give a fitting of almost the same quality but were slightly less accurate compared to λh-equation. The results of applied COSMO-RS computations suffered seriously from inaccuracies providing only a qual. guess of solubility Hence, machine learning procedure was applied for building a non-linear fully predictive model. The set of used mol. descriptors comes from COSMO-RS computations and characterizes intermol. interactions in pure solvents. Based on the quality of obtained machine learning model it is possible to confirm that the selected set of descriptors can be used for solubility modeling and carries the most important information necessary for quantifying of saturated solutions The experimental process involved the reaction of N-((4-Aminophenyl)sulfonyl)acetamide(cas: 144-80-9).Application In Synthesis of N-((4-Aminophenyl)sulfonyl)acetamide

The Article related to solubility sulfanilamide sulfacetamide solvent theor model artificial neural network, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Application In Synthesis of N-((4-Aminophenyl)sulfonyl)acetamide

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

On October 7, 2021, Alvarez-Miguel, Lucia; Burgoa, Jesus Damian; Mosquera, Marta E. G.; Hamilton, Alex; Whiteoak, Christopher J. published an article.Safety of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione The title of the article was Catalytic Formation of Cyclic Carbonates using Gallium Aminotrisphenolate Compounds and Comparison to their Aluminium Congeners: A Combined Experimental and Computational Study. And the article contained the following:

The use of gallium aminotrisphenolate compounds as catalysts for the synthesis of cyclic carbonates from epoxides and CO2 was reported. The results showed that they were highly active and more so than the corresponding aluminum congeners. The catalyst system was applicable at low and elevated temperatures across a wide substrate scope including terminal, internal, multiple and fully deuterated epoxides. Applying low catalyst loadings allowed for a TON of 344,000 to be obtained, highlighting their stability. A DFT investigation confirmed that the gallium catalysts have lower energetic profiles compared to the aluminum congeners. Measurement of the Lewis acidity of both the gallium and aluminum aminotrisphenolate compounds using the Gutmann-Beckett method provided the exptl. proof that the gallium compounds were more Lewis acidic than their aluminum congeners. Finally, Ab-Initio Mol. Dynamic (AIMD) simulations investigated and quantified the dynamic behavior of the catalytic systems, highlighting an important increase in fluxionality in some cases which helps to explain the increase in catalytic activity. The experimental process involved the reaction of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione(cas: 5455-98-1).Safety of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione

The Article related to gallium aminotrisphenolate catalyst preparation lewis acidity, epoxide carbon dioxide gallium catalyst, cyclic carbonate preparation, Heterocyclic Compounds (More Than One Hetero Atom): Dioxoles, Oxathioles, Dithioles and other aspects.Safety of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione

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

On November 15, 2019, Wu, Chenggui; Yang, Xinjun; Shang, Yong; Cheng, Hong-Gang; Yan, Wei; Zhou, Qianghui published an article.Application In Synthesis of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione The title of the article was Synthesis of Benzofused Dioxabicycle Scaffolds via a Catellani Strategy. And the article contained the following:

Reported is a modular strategy for the preparation of the unique benzofused dioxabicycle scaffolds involving a Catellani reaction of aryl iodides, epoxides, and terminal alkynes and an oxa-cyclization. This is a mild, scalable, chemoselective, and atom-economical protocol, compatible with various functionalized aryl iodides, epoxides, and terminal alkynes. With the ability to build up the mol. complexity rapidly and efficiently from feedstock chems., this method will have wide applications in organic synthesis. The experimental process involved the reaction of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione(cas: 5455-98-1).Application In Synthesis of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione

The Article related to benzofused dioxabicycle preparation chemoselective regioselective, aryl iodide epoxide terminal alkyne catellani reaction oxacyclization, Heterocyclic Compounds (More Than One Hetero Atom): Dioxoles, Oxathioles, Dithioles and other aspects.Application In Synthesis of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione

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

Mamat, Marhaba; Liu, Changhong; Abdukerem, Dilshat; Abdukader, Ablimit published an article in 2021, the title of the article was A visible-light-induced thiol addition/aerobic oxidation cascade reaction of epoxides and thiols for the synthesis of β-hydroxylsulfoxides.COA of Formula: C11H9NO3 And the article contains the following content:

A photochem. thiol addition/aerobic oxidation cascade reaction had been developed. This protocol enabled efficient oxidative coupling of epoxides and thiols to access structurally valuable β-hydroxylsulfoxides RSO2CH2C(R1R2)OH [R = 4-MeC6H4, 4-ClC6H4, 4-MeOC6H4, etc.; R1 = H, Me; R2 = Me, Et, CO2Et, etc.]. A broad range of functional groups were compatible to obtain moderate to good yields of the target products. Mechanistic studies revealed a sequential reaction pathway involving base-promoted thiol addition of thiols to epoxides and visible-light-induced aerobic oxygenation of thioethers. The experimental process involved the reaction of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione(cas: 5455-98-1).COA of Formula: C11H9NO3

The Article related to beta hydroxylsulfoxide preparation, epoxide thiol cascade addition aerobic oxidation rose bengal catalyst, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Sulfoxides and Sulfones and other aspects.COA of Formula: C11H9NO3

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

Weaver-Guevara, Holly M.; Fitzgerald, Ryan W.; Greenberg, Arthur published an article in 2017, the title of the article was Rotational barriers in five related amides.Recommanded Product: N,N-Diethylacetamide And the article contains the following content:

Interest in the low carbonyl IR frequency of 2-hydroxy-N,N-bis(2-hydroxyethyl)acetamide (2) initially prompted our interest in the amide rotational barrier of this mol. and four related amides that present a variety of hydrogen-bonding possibilities. In the course of this study, a previously incorrect structural assignment was established as N,N-bis[2-(acetyloxy)ethyl]-acetamide. In acetonitrile-d3, the carbonyl IR frequencies of the five amides were all essentially normal amide frequencies. Despite very different hydrogen-bonding possibilities in the five amides, no clear trends emerged in the comparison of the rotational barriers (ΔG‡), and the rotational barriers were essentially normal for amides. The rotational barrier of 2 did not vary over one order of magnitude difference in concentration The experimental process involved the reaction of N,N-Diethylacetamide(cas: 685-91-6).Recommanded Product: N,N-Diethylacetamide

The Article related to amide rotational barrier, Physical Organic Chemistry: Rearrangements, Including Isomerization and Tautomerization and other aspects.Recommanded Product: N,N-Diethylacetamide

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

Kisbye, J.; Byskov Madsen, N. published an article in 1977, the title of the article was Studies on sympathomimetic amines. X. Racemization of halostachine and phenylephrine.SDS of cas: 65645-88-7 And the article contains the following content:

The rates of racemization of (+)-halostachine (I) and (-)-phenylephrine (II) at 90-130° in strong acid solution are approx. equal and much lower than that for (-)-oxedrine. A linear dependence between the 1st-order rate constant and pH was observed and the activation energies and frequency factors for racemization of I and II were the same. An SN1 mechanism with carbonium ion formation as the rate-determining step was indicated. The experimental process involved the reaction of (S)-2-Hydroxy-N-methyl-2-phenylacetamide(cas: 65645-88-7).SDS of cas: 65645-88-7

The Article related to racemization halostachine phenylephrine kinetics, Physical Organic Chemistry: Rearrangements, Including Isomerization and Tautomerization and other aspects.SDS of cas: 65645-88-7

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