0-100 Archives - Page 11 of 20 - Esters-buliding-blocks

Kozuch, Jacek’s team published research in Journal of Physical Chemistry B in 2021 | CAS: 623-47-2

Ethyl propiolate(cas: 623-47-2) is a clear colorless to pale yellow liquid that is soluble in ethanol, ether and chloroform. It an important organic chemical raw material and pharmaceutical intermediate. Ethyl propargylate is obtained by oxidation of propargyl alcohol to propargylic acid followed by esterification.Quality Control of Ethyl propiolate

Kozuch, Jacek; Schneider, Samuel H.; Zheng, Chu; Ji, Zhe; Bradshaw, Richard T.; Boxer, Steven G. published an article in 2021. The article was titled 《Testing the Limitations of MD-Based Local Electric Fields Using the Vibrational Stark Effect in Solution: Penicillin G as a Test Case》, and you may find the article in Journal of Physical Chemistry B.Quality Control of Ethyl propiolate The information in the text is summarized as follows:

Noncovalent interactions underlie nearly all mol. processes in the condensed phase from solvation to catalysis. Their quantification within a phys. consistent framework remains challenging. Exptl. vibrational Stark effect (VSE)-based solvatochromism can be combined with mol. dynamics (MD) simulations to quantify the electrostatic forces in solute-solvent interactions for small rigid mols. and, by extension, when these solutes bind in enzyme active sites. While generalizing this approach toward more complex (bio)mols., such as the conformationally flexible and charged penicillin G (PenG), we were surprised to observe inconsistencies in MD-based elec. fields. Combining synthesis, VSE spectroscopy, and computational methods, we provide an intimate view on the origins of these discrepancies. We observe that the elec. fields are correlated to conformation-dependent effects of the flexible PenG side chain, including both the local solvation structure and solute conformational sampling in MD. Addnl., we identified that MD-based elec. fields are consistently overestimated in three-point water models in the vicinity of charged groups; this cannot be entirely ameliorated using polarizable force fields (AMOEBA) or advanced water models. This work demonstrates the value of the VSE as a direct method for experiment-guided refinements of MD force fields and establishes a general reductionist approach to calibrating vibrational probes for complex (bio)mols.Ethyl propiolate(cas: 623-47-2Quality Control of Ethyl propiolate) was used in this study.

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

Ghodsi, Fatemeh’s team published research in Polycyclic Aromatic Compounds in 2020 | CAS: 623-47-2

《The Effect of Spatial Hindrance on Stereoselective Synthesis of Real Enaminoesters and Determination of the Relative Stability of the Two E- and Z-Isomers of Hypothetical Enaminoesters》 was written by Ghodsi, Fatemeh; Shahraki, Mehdi; Habibi-Khorassani, Sayyed Mostafa; Nassiri, Mahmoud; Fazilatkhah, Malihe. Formula: C5H6O2 And the article was included in Polycyclic Aromatic Compounds in 2020. The article conveys some information:

The three-component reactions of isoquinoline and acetylenic esters in the presence of 2-tert-butyl-4-methylphenol has been investigated. The reactions were proceeded smoothly at room temperature without the usage of a catalyst. The structures of the synthesized compounds were characterized by elemental analyses and spectral studies. Also, quantum mech. calculations were carried out using the ab initio and DFT methods at the HF/6-31G (d,p) and B3LYP/6-31G (d,p) levels of theory to determine the stability of the two E and Z-isomers from both the hypothetical and real reactions between phenantridine or isoquinoline and di-Me acetylendicarboxylate in the presence of phenol derivatives for the generation of enaminoesters, in both gas phase and solvent media (polar and nonpolar). The results showed that more effective hindrance of any reactants (phenol derivatives, acetylenic esters and phenantridine or isoquinoline) should be considered for the generation of highly stereoselective enaminoester (E-isomer) in real or hypothetical synthesis. To reduce the effect of spatial hindrance on all cases (real or hypothetical synthesis) of E-enaminoester, corresponding to its more stability, the hydrogen atom and phenanthridine (or isoquinoline) moieties were positioned on the side of the double bond within the structure of an enaminoester. The E-isomers were recognized as the preferential form of the highly stable enaminoester and they can be considered as an effective product that has biol. activity. In the part of experimental materials, we found many familiar compounds, such as Ethyl propiolate(cas: 623-47-2Formula: C5H6O2)

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

Chen, Suli’s team published research in ACS Applied Materials & Interfaces in 2019 | CAS: 872-36-6

Vinylene carbonate(cas: 872-36-6) belongs to esters. Alkyl carbonates find applications as solvents for lithium ion battery electrolytes and the use of high quality battery grade electrolytes having extremely low water (<10 ppm) and acid (<10 ppm) contents are critical for achieving high electrochemical performance.Category: esters-buliding-blocks

《Poly(vinylene carbonate)-Based Composite Polymer Electrolyte with Enhanced Interfacial Stability To Realize High-Performance Room-Temperature Solid-State Sodium Batteries》 was written by Chen, Suli; Che, Haiying; Feng, Fan; Liao, Jianping; Wang, Hong; Yin, Yimei; Ma, Zi-Feng. Category: esters-buliding-blocksThis research focused onvinylene carbonate composite polymer electrolyte rechargeable sodium battery safety; composite polymer electrolyte; high ionic conductivity; in situ solidification; interfacial stability; poly(vinylene carbonate); solid-state sodium batteries. The article conveys some information:

Solid-state rechargeable batteries using polymer electrolytes have been considered, which can avoid safety issues and enhance energy d. However, com. application of the polymer electrolyte solid-state battery is still significantly limited by the low room-temperature ionic conductivity, poor mech. properties, and weak interfacial compatibility between the electrolyte and electrode, especially for the room-temperature solid-state rechargeable battery. In this work, a poly(vinylene carbonate)-based composite polymer electrolyte (PVC-CPE) is reported for the first time to realize room-temperature solid-state sodium batteries with high performances. This in situ solidified PVC-CPE possesses superior ionic conductivity (0.12 mS cm-1 at 25°), high Na+ transference number of 0.60, as well as enhanced electrode/electrolyte interfacial stability. Notably, the composite cathode NaNi1/3Fe1/3Mn1/3O2 (c-NFM) is designed through the in situ growth of the polymer electrolyte inside the electrode to decrease interfacial resistance and facilitate effective ion transport in electrode/electrolyte interfaces. It is demonstrated that the solid-state c-NFM/PVC-CPE/Na battery assembled by a one-step in situ solidification method exhibits remarkably enhanced cell performances at room temperature compared with a reference NFM/PVC-CPE/Na assembled through a conventional ex situ method. The battery presents a high initial specific capacity of 104.2 mA h g-1 at 0.2 C with a capacity retention of 86.8% over 250 cycles and ∼80.2 mA h g-1 at 1 C. This study suggests that PVC-CPE is a very promising electrolyte for solid-state sodium batteries. This study also suggests a new method to design high-performance polymer electrolytes for other solid-state rechargeable batteries to realize high safety and considerable electrochem. performance at room temperature In addition to this study using Vinylene carbonate, there are many other studies that have used Vinylene carbonate(cas: 872-36-6Category: esters-buliding-blocks) was used in this study.

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

Fullenkamp, Christopher R.’s team published research in Tetrahedron Letters in 2020 | CAS: 623-47-2

《An improved synthesis of hemichrysophaentin-AB fragment of chrysophaentin A》 was published in Tetrahedron Letters in 2020. These research results belong to Fullenkamp, Christopher R.; Sulikowski, Gary A.. Category: esters-buliding-blocks The article mentions the following:

Synthetic fragments of chrysophaentin A, a rare antimicrobial marine natural product, were required to support structure-activity and mechanism of action studies. Hemichrysophaentin (I), a synthetic fragment of chrysophaentin A showed antimicrobial activity against Gram-pos. bacteria, presumably acting through the inhibition of the microbial tubulin-like protein FtsZ. Here in, we report a concise and scalable 11-step synthesis of hemichrysophaentin featuring a stereo- and regiocontrolled installation of an E-chloroalkene followed by a Lewis acid promoted O to C migration.Ethyl propiolate(cas: 623-47-2Category: esters-buliding-blocks) was used in this study.

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

Tang, Zhishun’s team published research in Organic & Biomolecular Chemistry in 2022 | CAS: 623-47-2

In 2022,Tang, Zhishun; Chen, Linghong; Yin, Pengxuan; Yang, Lu; Shi, Zhichuan; Zhao, Zhigang; Ye, Ling; Li, Xuefeng published an article in Organic & Biomolecular Chemistry. The title of the article was 《Diastereoselective construction of tetracyclic chromanes via a triply annulative strategy》.Recommanded Product: 623-47-2 The author mentioned the following in the article:

A triple Michael/aldol cascade reaction was established to construct tetracyclic chromanes in a diastereoselective fashion (≥5 : 1 dr). The polycyclic products were generated in 50-78% isolated yields under mild and metal-free conditions. Five reactive sites of enolate-tethered divinyl ketones were sequentially utilized to form four C-C bonds in a one-pot operation, leading to a construction of three new rings. Up to six consecutive stereocenters, including two quaternary stereogenic centers, were created in this domino process.Ethyl propiolate(cas: 623-47-2Recommanded Product: 623-47-2) was used in this study.

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

Savari, Mehdi’s team published research in Applied Organometallic Chemistry in 2022 | CAS: 623-47-2

In 2022,Savari, Mehdi; Varasteh-Moradi, Ali; Sayyed-Alangi, S. Zahra; Hossaini, Zinatossadat; Zafarmehrabian, Ramin published an article in Applied Organometallic Chemistry. The title of the article was 《Ag/Fe3O4/TiO2@MWCNTs as a reusable organometallic nanocatalyst promoted green synthesis of new pyridobenzoazepines: Study of biological activity and reduction of organic pollutants》.Quality Control of Ethyl propiolate The author mentioned the following in the article:

In this research, Ag/Fe3O4/TiO2@MWCNTs magnetic nanocomposites synthesized using water extract of Spinacia oleracea leaves, and the high performance of synthesized catalyst was confirmed by employing it in the multicomponent reaction of isatoic anhydride, N-methylimidazole, α-haloketones, electron-deficient acetylenic compounds, ammonium acetate, and Me epoxide in water at ambient temperature for the preparation of new pyridobenzoazepine derivatives such as I [X = H, Me, NO2, etc.; R1 = Me, Et; R2 = CO2Et, 4-MeC6H4, 4-MeOC6H4, etc.] in high yields. Also, the catalytic activity of the green synthesized Ag/Fe3O4/TiO2@MWCNTs was evaluated in the reduction of organic pollutants such as 4-nitrophenol in water at mild conditions. The results indicated that the biosynthesized magnetic nanocomposites (MNCs) have very high and effective catalytic activity for organic pollutants within few seconds. The synthesized compounds have OH group in their structure and for this reason might be showed good antioxidant activity. Also, employing Gram-pos. and Gram-neg. bacteria in the disk diffusion procedure confirmed antimicrobial effect of the some pyridobenzoazepine derivatives The results showed that synthesized compounds prevented the bacterial growth. This used procedure for preparation of pyridobenzoazepine derivatives have some advantages such as low reaction time, product with high yields, and simple separation of catalyst and products. The experimental process involved the reaction of Ethyl propiolate(cas: 623-47-2Quality Control of Ethyl propiolate)

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

Jin, Xiaoping’s team published research in Organic & Biomolecular Chemistry in 2022 | CAS: 623-47-2

Jin, Xiaoping; Zhang, Li published an article in 2022. The article was titled 《Expedient access to N-alkylphthalimides via redox-neutral photocatalysed Giese-type reactions》, and you may find the article in Organic & Biomolecular Chemistry.Recommanded Product: Ethyl propiolate The information in the text is summarized as follows:

A novel protocol for the preparation of N-alkylphthalimides such as I [R = n-Bu, allyl, CH2NPh, etc.; R1 = C(O)OEt, Ph, 4-MeC6H4, etc.] was developed via photoredox-catalyzed Giese-type reaction of N-vinylphthalimides with radicals using alkyl silicates or Hantzsch esters as the radical precursors. According to the result of deuteration experiments, a mechanism involving a radical addition/SET reduction/protonation process has been proposed. The synthetic application of N-alkylphthalimide was demonstrated by deprotecting the phthalimido group using the Ing-Manske procedure. The experimental process involved the reaction of Ethyl propiolate(cas: 623-47-2Recommanded Product: Ethyl propiolate)

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

Wang, Liang’s team published research in Asian Journal of Organic Chemistry in 2021 | CAS: 872-36-6

Wang, Liang; Jiang, Kuan-chang; Zhang, Nana; Zhang, Zhi-hui published an article in 2021. The article was titled 《Rhodium-Catalyzed Synthesis of Isoquinolino[1,2-b]Quinazolines via C-H Annulation in Biomass-Derived γ-Valerolactone》, and you may find the article in Asian Journal of Organic Chemistry.Synthetic Route of C3H2O3 The information in the text is summarized as follows:

A rhodium-catalyzed synthesis of isoquinolino[1,2-b]quinazolines via C-H annulation using vinylene carbonate as an oxidizing acetylene surrogate in biomass-derived γ-valerolactone (GVL) was developed. The reactions proceeded smoothly to give the corresponding products in moderate to good yields without any external oxidant and base. This protocol was applied for the synthesis of 5,6-dihydro-8H-isoquinolino[1,2-b]quinazolin-8-ones. In the part of experimental materials, we found many familiar compounds, such as Vinylene carbonate(cas: 872-36-6Synthetic Route of C3H2O3)

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

Joshi, Dirgha Raj’s team published research in Journal of Organic Chemistry in 2021 | CAS: 623-47-2

Joshi, Dirgha Raj; Kim, Ikyon published their research in Journal of Organic Chemistry in 2021. The article was titled 《Michael-Aldol Double Elimination Cascade to Make Pyridines: Use of Chromone for the Synthesis of Indolizines》.Quality Control of Ethyl propiolate The article contains the following contents:

A domino Michael-aldol double elimination route to indolizines having two different acyl groups at the C5 and C7 positions was described where chromone was employed as a two-carbon unit for the synthesis of a pyridine moiety for the first time. Various analogs were readily accessed in good yields under metal-free and eco-friendly conditions. Further manipulation of the resulting products allowed entry to novel indolizine-heterocycle adducts, which were difficult to access by other methods. The results came from multiple reactions, including the reaction of Ethyl propiolate(cas: 623-47-2Quality Control of Ethyl propiolate)

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

Venugopala, Katharigatta Narayanaswamy’s team published research in PLoS One in 2019 | CAS: 623-47-2

The author of 《Computational, crystallographic studies, cytotoxicity and anti-tubercular activity of substituted 7-methoxy-indolizine analogues》 were Venugopala, Katharigatta Narayanaswamy; Chandrashekharappa, Sandeep; Pillay, Melendhran; Abdallah, Hassan H.; Mahomoodally, Fawzi M.; Bhandary, Subhrajyoti; Chopra, Deepak; Attimarad, Mahesh; Aldhubiab, Bandar E.; Nair, Anroop B.; Sreeharsha, Nagaraja; Morsy, Mohamed A.; Pottathil, Shinu; Venugopala, Rashmi; Odhav, Bharti; Mlisana, Koleka. And the article was published in PLoS One in 2019. Reference of Ethyl propiolate The author mentioned the following in the article:

A series of synthetic 7-methoxy-indolizine derivatives I [R1 = 4-F, 4-CN, 3-OMe, 4-Br; R2 = H, Me, CO2Et] were synthesized, characterized and evaluated for in vitro whole-cell anti-tuberculosis (TB) screening against susceptible (H37Rv) and multi-drug-resistant (MDR) strains of Mycobacterium tuberculosis (MTB) using the resazurin microplate assay method and cytotoxicity was evaluated using the MTT assay. The experimental process involved the reaction of Ethyl propiolate(cas: 623-47-2Reference of Ethyl propiolate)

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