Tag: 200-300

A Three-Dimensional Dynamic Supramolecular “Sticky Fingers” Organic Framework was written by Fernandez-Bartolome, Estefania;Santos, Jose;Gamonal, Arturo;Khodabakhshi, Saeed;McCormick, Laura J.;Teat, Simon J.;Sanudo, E. Carolina;Costa, Jose Sanchez;Martin, Nazario. And the article was included in Angewandte Chemie, International Edition in 2019.Reference of 1190-39-2 This article mentions the following:

Engineering high-recognition host-guest materials is a burgeoning area in basic and applied research. The challenge of exploring novel porous materials with advanced functionalities prompted us to develop dynamic crystalline structures promoted by soft interactions. The first example of a pure mol. dynamic crystalline framework is demonstrated, which is held together by means of weak “sticky fingers” van der Waals interactions. The presented organic-fullerene-based material exhibits a non-porous dynamic crystalline structure capable of undergoing single-crystal-to-single-crystal reactions. Exposure to hydrazine vapors induces structural and chem. changes that manifest as toposelective hydrogenation of alternating rings on the surface of the [60]fullerene. Control experiments confirm that the same reaction does not occur when performed in solution Easy-to-detect changes in the macroscopic properties of the sample suggest utility as mol. sensors or energy-storage materials. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Reference of 1190-39-2).

malonic acid dibutyl ester (cas: 1190-39-2) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Reference of 1190-39-2

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

Heats of Combustion of Fatty Acids and Fatty Acid Esters was written by Levine, Felicia;Kayea, Ronald V. III;Wexler, Robert;Sadvary, D. J.;Melick, Cory;La Scala, John. And the article was included in Journal of the American Oil Chemists’ Society in 2014.Synthetic Route of C12H22O4 This article mentions the following:

The military uses JP-8, a kerosene type hydrocarbon, to fuel most of its vehicles and is seeking a renewable alternative fuel that meets strict JP-8 specifications. Biodiesel is typically a mixture of different alkyl esters produced from the transesterification of triglycerides readily available in plant oils and used cooking oil. To date, no traditional biodiesel meets the requirements for heat of combustion, f.p., viscosity and oxidative stability to be a stand-alone replacement for JP-8. This work is a fundamental survey of the heat of combustion of single fatty acid esters and a predictive model for estimating the heat of combustion given a known mol. structure. The gross heat of combustion of various C6-C18 fatty acids and the Me, Pr and iso-Pr esters of these fatty acids was measured. This study sought to relate the effect of chain length, degree of unsaturation and branching to the critical fuel property of the gross heat of combustion (H_c). It was found that H_c (kJ/g) increased with chain length. A nearly linear relationship was found between wt% carbon and hydrogen, and H_c. Group contribution models previously published for hydrocarbons and polymers were modified to more accurately predict the heat of combustion of the fatty acids and esters. Modification of the molar heat values of carboxylic acid, Me, and methylene groups improved correlation of the model with the exptl. results. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Synthetic Route of C12H22O4).

Dimethyl decanedioate (cas: 106-79-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Synthetic Route of C12H22O4

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

Comparison of the acyl chain specificities of human myristoyl-CoA synthetase and human myristoyl-CoA:protein N-myristoyltransferase was written by Kishore, Nandini S.;Wood, David C.;Mehta, Pramod P.;Wade, Arlene C.;Lu, Tianbao;Gokel, George W.;Gordon, Jeffrey I.. And the article was included in Journal of Biological Chemistry in 1993.Reference of 3903-40-0 This article mentions the following:

Myristoyl-CoA synthetase (I) and protein N-myristoyltransferase (II) were partially purified from a human erythroleukemia cell line. Their substrate specificities were examined using 2 in vitro assays of enzyme activity together with a panel of C₇-C₁₇ saturated fatty acids plus 72 myristic acid analogs containing O, S, ketocarbonyl, ester, amide, cis and trans double bonds, triple bonds, and para-substituted Ph groups. There was an inverse relation between the polarity and the activity of C₁₄ fatty acid substrates of I. Surveys of tetradecenoic and tetradecynoic acids suggested that myristate is bound to I in a bent conformation with a principal bend occurring in the vicinity of C5-C6. I was able to tolerate a somewhat wider range of physicochem. properties in acyl chains than was the monomeric human II. However, like I, there was an inverse relation between acyl chain polarity and the activities of the acyl-CoA substrates of II. Moreover, the acyl chain of myristoyl-CoA appeared to be bound to II in a bent conformation with bends located in the vicinity of C5 and C8. The acyl chain specificities of both enzymes make them well suited to utilize efficiently any cellular pools of 5Z-tetradecenoic and 5Z,8Z-tetradecadienoic acids and their CoA derivatives This feature may account for the recent observation that in some mammalian cell lineages, certain N-myristoyl-proteins are heterogeneously acylated with these C₁₄ fatty acids. Finally, the acyl-CoA binding sites of human and Saccharomyces cerevisiae II appeared to have been highly conserved. Given their overlapping yet distinct peptide substrate specificities, the development of species-specific inhibitors of II should probably focus on structural features recognized in the enzyme peptide substrates rather than in the acyl chain of their acyl-CoA substrates. In the experiment, the researchers used many compounds, for example, 12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0Reference of 3903-40-0).

12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Reference of 3903-40-0

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

Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: SAR and Structural Characterization was written by Whelligan, Daniel K.;Solanki, Savade;Taylor, Dawn;Thomson, Douglas W.;Cheung, Kwai-Ming J.;Boxall, Kathy;Mas-Droux, Corine;Barillari, Caterina;Burns, Samantha;Grummitt, Charles G.;Collins, Ian;van Montfort, Rob L. M.;Aherne, G. Wynne;Bayliss, Richard;Hoelder, Swen. And the article was included in Journal of Medicinal Chemistry in 2010.Quality Control of Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate This article mentions the following:

We report herein the first systematic exploration of inhibitors of the mitotic kinase Nek2. Starting from HTS hit aminopyrazine I, compounds with improved activity were identified using structure-based design. Our structural biol. investigations reveal two notable observations. First, I and related compounds bind to an unusual, inactive conformation of the kinase which to the best of our knowledge has not been reported for other types of kinase inhibitors. Second, a phenylalanine residue at the center of the ATP pocket strongly affects the ability of the inhibitor to bind to the protein. The implications of these observations are discussed, and the work described here defines key features for potent and selective Nek2 inhibition, which will aid the identification of more advanced inhibitors of Nek2. In the experiment, the researchers used many compounds, for example, Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (cas: 525362-07-6Quality Control of Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate).

Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (cas: 525362-07-6) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Quality Control of Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

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

Aqueous CO₂ fixation: construction of pyridine skeletons in cooperation with ammonium cations was written by Xiang, Shiqun;Fan, Weibin;Zhang, Wei;Li, Yinghua;Guo, Shiwei;Huang, Deguang. And the article was included in Green Chemistry in 2021.Application of 33166-79-9 This article mentions the following:

A simple and green method is explored for the synthesis of fused pyridines e.g., 3,7-dimethyl-10,12-dihydrodiindeno[1,2-b:2′,1′-e]pyridine by [2 + 2 + 1 + 1] the cycloaddition of ketones e.g., 6-methyl-1-indanone with an ammonium cation under a CO₂ atmosphere. The reactions employed ammonium cation as a nitrogen source and CO₂ gas as a carbon source in an aqueous solution Monoethanolamine (MEA) was used as an additive to increase the solubility of CO₂ in an aqueous solution The scope and versatility of the method are demonstrated with examples e.g., 3,7-dimethyl-10,12-dihydrodiindeno[1,2-b:2′,1′-e]pyridine. Products are found to be photosensitive and show potential applications as organic optoelectronic materials. A selectfluor-promoted reaction mechanism is proposed based on the exptl. studies. This work is superior as it is a metal-free system, uses CO₂ as a carbon source and MEA as an additive in aqueous synthesis. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9Application of 33166-79-9).

Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Application of 33166-79-9

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

Electrochemical Behavior of Thiocarbonylthio Chain Transfer Agents for RAFT Polymerization was written by Strover, Lisa T.;Cantalice, Alexis;Lam, Jeff Y. L.;Postma, Almar;Hutt, Oliver E.;Horne, Michael D.;Moad, Graeme. And the article was included in ACS Macro Letters in 2019.COA of Formula: C14H12S2 This article mentions the following:

Electrochem. activation of thiocarbonylthio reversible addition-fragmentation chain transfer (RAFT) agents (S=C(Z)S-R) is explored as a potential method for initiating RAFT polymerization under mild conditions without producing initiator-derived byproducts. Herein we apply cyclic voltammetry to establish a predominant reduction mechanism, where electrochem. reduction is coupled to an irreversible first-order chem. reaction. Structure-dependent trends in cyclic voltammograms (CVs), and comparison to absorption spectra, clarify the role of R- and Z-groups in determining reduction processes. The major reduction peak moves to more cathodic potentials in the series dithiobenzoates > trithiocarbonates > heteroaromatic dithiocarbamates > xanthates ∼ N-alkyl-N-aryldithiocarbamates, due to the Z-group influence on thiocarbonyl bond reactivity. More active (electron-withdrawing, radical stabilizing) R-groups shift the reduction peak anodically, in part due to their influence on the rate of the coupled chem. reaction. Anal. of CVs across a range of scan rates revealed that kinetic control over the reduction mechanism is influenced by both the charge transfer rate and chem. reaction rate. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7COA of Formula: C14H12S2).

Benzyl benzodithioate (cas: 27249-90-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.COA of Formula: C14H12S2

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

A Method for Obtaining Defined End Groups of Polymethacrylates Prepared by the RAFT Process during Aminolysis was written by Roth, Peter J.;Kessler, Daniel;Zentel, Rudolf;Theato, Patrick. And the article was included in Macromolecules (Washington, DC, United States) in 2008.Quality Control of Benzyl benzodithioate This article mentions the following:

We presented a simple modification of the aminolysis of polymethacrylates prepared by the RAFT process overcoming the problems of thiolactone and side product formation. The method uses the high reactivity of Me methanethiosulfonate toward thiols, thus favoring Me disulfide formation even in the presence of oxygen. The transformed disulfide end group showed a higher affinity toward a gold surface than the dithioester end group and could successfully be employed for encapsulation of gold nanoparticles. This method enables polymethacrylates to be grafted onto metal surfaces and also opens new routes to end-group functionalization of RAFT polymers. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Quality Control of Benzyl benzodithioate).

Benzyl benzodithioate (cas: 27249-90-7) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Quality Control of Benzyl benzodithioate

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

Temperature Driven Self-Assembly of a Zwitterionic Block Copolymer That Exhibits Triple Thermoresponsivity and pH Sensitivity was written by Jimenez, Zulma A.;Yoshida, Ryo. And the article was included in Macromolecules (Washington, DC, United States) in 2015.Synthetic Route of C14H12S2 This article mentions the following:

We report a zwitterionic block copolymer composed of N-isopropylacrylamide and N,N-dimethyl-N-(3-(methacrylamido)propyl)ammoniopropanesulfonate monomers which self-assembles into different structures depending on the solution temperature As the temperature is increased from 20 to 70 °C, the solubility of the polymer switches direction from insoluble to soluble to insoluble to soluble During this process, the polymer self-assembly changes from polymersomes to micelles. These extraordinary transitions are possible because of the hydrophilic-hydrophobic ratio of the polymer blocks and the presence of a carboxyl end group attached to the end of the poly(N-isopropylacrylamide) chain. Addnl., one of these transitions can be controlled by the pH of the solution thanks to the protonation-deprotonation of the carbonyl and the charge neutralization of the ammonium moieties. The present work opens the possibility of designing polymers with temperature driven self-assembly properties that could be used for biomedical applications. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Synthetic Route of C14H12S2).

Benzyl benzodithioate (cas: 27249-90-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Synthetic Route of C14H12S2

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

Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: group Z was written by Rodriguez-Sanchez, Isis;Glossman-Mitnik, Daniel;Zaragoza-Contreras, E. Armando. And the article was included in Journal of Molecular Modeling in 2009.Related Products of 27249-90-7 This article mentions the following:

The authors report theor. calculations, by d. functional theory (DFT), for 28 transfer agents used in reversible addition-fragmentation chain transfer (RAFT) polymerization Functional PBE1PBE and 3-21G^* theory levels with Gaussian 03 software were used to determine the order of reactivity of RAFT agents through the evaluation of reactivity parameters such as global softness, global hardness and global philicity. The global softness of the agent was more favored when it contained benzyl or Ph groups as the Z group, than in RAFT agents with Z groups based on O, N, or S. When the Z group is based on O or N, the tendency to form zwitterionic bonds with the adjacent radical center is very high, causing reactivity reduction in these kinds of compounds (e.g., dithiocarbamates) in comparison with compounds that do not experience this type of event; however, with Z groups based on S, 2 fragmentation paths are possible, which reduces the fragmentation rate since both Z and R can function as leaving groups. With this study the authors contribute to the understanding of RAFT-mediated polymerization mechanisms by proposing an order of reactivity based on evaluating the importance of the Z group. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Related Products of 27249-90-7).

Benzyl benzodithioate (cas: 27249-90-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Related Products of 27249-90-7

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

Controlled radical polymerization of N-vinylpyrrolidone and N-vinylsuccinimide under the conditions of reversible chain transfer by the addition-fragmentation mechanism was written by Chernikova, E. V.;Terpugova, P. S.;Filippov, A. N.;Garina, E. S.;Golubev, V. B.;Gostev, A. I.;Sivtsov, E. V.. And the article was included in Russian Journal of Applied Chemistry in 2009.Synthetic Route of C14H12S2 This article mentions the following:

Regular trends in controlled radical polymerization of N-vinylpyrrolidone and N-vinylsuccinimide by the mechanism of reversible chain transfer in the presence of a series of dithiobenzoates and trithiocarbonates were studied. The possibility of preparing soluble poly-N-vinylsuccinimide in concentrated solutions using benzyl benzodithioate as reversible chain-transfer agent was demonstrated. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Synthetic Route of C14H12S2).

Benzyl benzodithioate (cas: 27249-90-7) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Synthetic Route of C14H12S2

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