Tag: 0-100

《Structural, spectroscopic, and photochemical study of ethyl propiolate isolated in cryogenic argon and nitrogen matrices》 was written by Lopes, S.; Nikitin, T.; Fausto, Rui. Product Details of 623-47-2 And the article was included in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 2020. The article conveys some information:

Et propiolate (HC ≃ CCOOCH2CH3, EP) was studied exptl. by IR spectroscopy in argon and nitrogen cryomatrices (15 K) and by quantum chem. calculations (at the DFT(B3LYP) and MP2 levels of theory). Calculations predict the existence of four conformers: two low-energy conformers (I and II) possessing the carboxylic moiety in the cis configuration (O=C-O-C dihedral equal to ∼0°) and two higher-energy trans forms (O=C-O-C dihedral equal to ∼180°; III and IV). The conformation of the Et ester group within each pair of conformers is either anti (C-O-C-C equal to 180°; in conformers I and III) or gauche (C-O-C-C equal to ±86.6° in II, and ± 92.5° in IV). The two low-energy cis conformers (I and II) were predicted to differ in energy by less than 2.5 kJ mol-1 and were shown to be present in the studied cryogenic matrixes. Characteristic bands for each one of these conformers were identified in the IR spectra of the matrix-isolated compound and assigned taking into account the results of normal coordinate anal., which used the geometries and harmonic force constants obtained in the DFT calculations The two trans conformers (III and IV) were estimated to be 17.5 kJ mol-1 higher in energy than the conformational ground state (form I) and were not observed exptl. The unimol. photochem. of matrix-isolated EP (in N2 matrix) was also investigated. In situ irradiation with UV light (λ > 235 nm) leads mainly to decarbonylation of the compound, with generation of ethoxyethyne, which in a subsequent photoreaction generates ketene (plus ethene). After reading the article, we found that the author used Ethyl propiolate(cas: 623-47-2Product Details of 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.Product Details of 623-47-2

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

《Regio- and stereoselective synthesis of (Z)-(2,3-dihydro-1,4-thiaselenin-2-yl) vinyl sulfides from 2-bromomethyl-1,3-thiaselenole under phase-transfer catalysis conditions》 was published in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2020. These research results belong to Filippov, Andrey S.; Amosova, Svetlana V.; Potapov, Vladimir A.. Application In Synthesis of Ethyl propiolate The article mentions the following:

A one-pot regio- and stereoselective method for the synthesis of previously unknown (Z)-(2,3-dihydro-1,4-thiaselenin-2-yl) vinyl sulfides I (R = OMe, OEt, Ph; R1 = H, COOMe, COOEt) based on 2-bromomethyl-1,3-thiaselenole and activated acetylenes R1CCC(O)R at room temperature under phase-transfer catalysis conditions in 90-96% yields has been developed.Ethyl propiolate(cas: 623-47-2Application In Synthesis of Ethyl propiolate) was used in this study.

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.Application In Synthesis of Ethyl propiolate

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

《Suppressing lithium dendrite growth by a synergetic effect of uniform nucleation and inhibition》 was written by Wu, Li-Na; Peng, Jun; Han, Fa-Ming; Sun, Ya-Ke; Sheng, Tian; Li, Yang-Yang; Zhou, Yao; Huang, Ling; Li, Jun-Tao; Sun, Shi-Gang. Related Products of 872-36-6 And the article was included in Journal of Materials Chemistry A: Materials for Energy and Sustainability in 2020. The article conveys some information:

The lithium dendrites issue presents a major challenge limiting the commercialization of Li metal anodes for high-energy-d. batteries. Herein, an AgPF6-LiNO3 hybrid electrolyte additive was introduced into a carbonate electrolyte, which was found to induce the formation of a homogeneous dense layer of Ag-Li alloy seeds with small sizes on the Li metal surface. The formation mechanism of such fine Ag-Li alloy seeds on the Li metal substrate was evaluated, which revealed an interesting synergistic effect between AgPF6 and LiNO3. The occurrence of such a dense layer of Ag-Li alloy seeds was found to play a significant pos. role in homogeneous nucleation and growth of Li dendrites, and LiNO3 could inhibit the growth of Li and act as a grain refiner during a repetitive plating/stripping process, thus enabling profoundly improved structural stability and excellent long-term cycle performance for the Li anode during the cycling process. With the co-presence of AgPF6-LiNO3 in the electrolyte, the relevant sym. cells could work steadily for 3000 h with slight polarization at a d. of 0.5 mA cm-2; and the Li-graphite battery can exhibit good cycle performances and deliver a specific energy d. of 374 W h kg-1 at a power d. of 747 W kg-1. The experimental process involved the reaction of Vinylene carbonate(cas: 872-36-6Related Products of 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.Related Products of 872-36-6

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

Venugopala, Katharigatta N.; Chandrashekharappa, Sandeep; Deb, Pran Kishore; Tratrat, Christophe; Pillay, Melendhran; Chopra, Deepak; Al-Shar’i, Nizar A.; Hourani, Wafa; Dahabiyeh, Lina A.; Borah, Pobitra; Nagdeve, Rahul D.; Nayak, Susanta K.; Padmashali, Basavaraj; Morsy, Mohamed A.; Aldhubiab, Bandar E.; Attimarad, Mahesh; Nair, Anroop B.; Sreeharsha, Nagaraja; Haroun, Michelyne; Shashikanth, Sheena; Mohanlall, Viresh; Mailavaram, Raghuprasad published an article in 2021. The article was titled 《Anti-tubercular activity and molecular docking studies of indolizine derivatives targeting mycobacterial InhA enzyme》, and you may find the article in Journal of Enzyme Inhibition and Medicinal Chemistry.Safety of Ethyl propiolate The information in the text is summarized as follows:

A series of 1,2,3-trisubstituted indolizines (, and ) were screened for in vitro whole-cell anti-tubercular activity against the susceptible H37Rv and multidrug-resistant (MDR) Mycobacterium tuberculosis (MTB) strains. Compounds , , and were active against the H37Rv-MTB strain with min. inhibitory concentration (MIC) ranging from 4 to 32μg/mL, whereas the indolizines with Et ester group at the 4-position of the benzoyl ring also exhibited anti-MDR-MTB activity (MIC = 16-64μg/mL). In silico docking study revealed the enoyl-acyl carrier protein reductase (InhA) and anthranilate phosphoribosyltransferase as potential mol. targets for the indolizines. The X-ray diffraction anal. of the compound was also carried out. Further, a safety study (in silico and in vitro) demonstrated no toxicity for these compounds Thus, the indolizines warrant further development and may represent a novel promising class of InhA inhibitors and multi-targeting agents to combat drug-sensitive and drug-resistant MTB strains. In the experiment, the researchers used many compounds, for example, Ethyl propiolate(cas: 623-47-2Safety of Ethyl propiolate)

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.Safety of Ethyl propiolate

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

In 2022,Chen, Zifeng; Su, Hai; Sun, Pengfei; Bai, Panxing; Yang, Jixing; Li, Mengjie; Deng, Yunfeng; Liu, Yang; Geng, Yanhou; Xu, Yunhua published an article in Proceedings of the National Academy of Sciences of the United States of America. The title of the article was 《A nitroaromatic cathode with an ultrahigh energy density based on six-electron reaction per nitro group for lithium batteries》.Synthetic Route of C3H2O3 The author mentioned the following in the article:

Organic electrode materials have emerged as promising alternatives to conventional inorganic materials because of their structural diversity and environmental friendliness feature. However, their low energy densities, limited by the single-electron reaction per active group, have plagued the practical applications. Here, we report a nitroarom. cathode that performs a six-electron reaction per nitro group, drastically improving the specific capacity and energy d. compared with the organic electrodes based on single-electron reactions. Based on such a reaction mechanism, the organic cathode of 1,5-dinitronaphthalene demonstrates an ultrahigh specific capacity of 1,338 mAh·g-1 and energy d. of 3,273 Wh·kg-1, which surpass all existing organic cathodes. The reaction path was verified as a conversion from nitro to amino groups. Our findings open up a pathway, in terms of battery chem., for ultrahigh-energy-d. Li-organic batteries. In the experimental materials used by the author, we found Vinylene carbonate(cas: 872-36-6Synthetic Route of C3H2O3)

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.Synthetic Route of C3H2O3

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

《Realizing a high-performance LiNi0.6Mn0.2Co0.2O2/silicon-graphite full lithium ion battery cell via a designer electrolyte additive》 was published in Journal of Materials Chemistry A: Materials for Energy and Sustainability in 2020. These research results belong to Aupperle, Felix; Eshetu, Gebrekidan Gebresilassie; Eberman, Kevin W.; Xioa, Ang; Bridel, Jean-Sebastien; Figgemeier, Egbert. Application In Synthesis of Vinylene carbonate The article mentions the following:

An optimized dosage of (2-cyanoethyl)triethoxysilane (TEOSCN), is investigated as the electrode/electrolyte interface (EEI) modulating electrolyte additive to improve electrochem. performance of LiN0.6Mn0.2Co0.2O2(NMC622)/silicon(Si)-graphite(Gr) battery cells at a high temperature (45°). The addition of 1 wt% of TEOSCN to 1 M LiPF6 in EC:DEC + 5 wt% FEC/2 wt% VC electrolyte is found to significantly improve the long-term cyclability, capacity retention and coulombic efficiency of NMC622/Si-Gr cells at 45°. Pouch cells cycled in a nitrile-functionalized silane bearing electrolyte show superior capacity retention (∼ 75.95%) compared to those with FEC/VC (∼ 8.05%) and without additives (EC:DEC, ∼19.23%) electrolytes at the 364th cycle. Chem. mimicking and XPS anal. proved that the enhanced electrochem. performance is attributed to the formation of -C≡N reduction/oxidation induced robust EEI layers, both on the anode and cathode compartments, thus mitigating the escorted prevailing challenges. This work provides a highly promising electrolyte additive enabling the large-scale com. deployment of Si-containing high-energy lithium-ion full cell batteries. In the experiment, the researchers used many compounds, for example, Vinylene carbonate(cas: 872-36-6Application In Synthesis of Vinylene carbonate)

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.Application In Synthesis of Vinylene carbonate

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