Tag: 100-200

The Interaction of Glymes with Surfactant Micelles was written by Petropolis, Nicholas P.;Petropolis, Harrison M.;MacNeil, Nicole E.;Doucet, Taylor M.;Marangoni, D. Gerrard. And the article was included in Journal of Surfactants and Detergents in 2021.Formula: C8H18O4 This article mentions the following:

The critical micelle concentrations (CMC) values and counterion dissociation (α values) have been determined for a number of mixed micellar systems consisting of two typical ionic surfactants and glycol ethers (glymes) as cosurfactants, namely diethylene glycol di-Me ether, diethylene glycol di-Et ether, triethylene glycol di-Me ether, and tetraethylene glycol di-Me ether. Conductance experiments were used to determine the CMC and α values of the mixed micelles as a function of glyme concentration in the aqueous mixed solvent. Favorable interactions between sodium dodecyl sulfate micelles and glyme cosurfactants were deduced from the decreases in the CMC values and the large increase in the α values of these systems as a function of increasing glyme concentration in the mixed solvents. In contrast to the anionic surfactant/glyme systems, in general, there appeared to be little favorable interactions between the surfactant and glymes when micelles of the cationic surfactant dodecyltrimethylammonium bromide were formed in water/glyme solvent systems containing an increasing amount of the glymes. The interaction of glymes with the surfactant micelles was examined closely via ¹³C NMR (NMR) chem. shifts for both surfactant and glyme carbons; these chem. shifts changes were interpreted in terms of the distribution and the localization of the glymes in the aggregates. Finally, partition constants, determined from two-dimensional diffusion-oriented spectroscopy (2D-DOSY) experiments, were used to calculate thermodn. quantities of transfer of the glymes between the bulk phase and the self-assembled aggregates. All these results are interpreted in terms of the key contributions that both the glyme ethoxylated groups and alkyl endgroups make to the hydrophobic interactions. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Formula: C8H18O4).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides.Formula: C8H18O4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthesis of 3-[3-chloro-4-hydroxy-2(4-hydroxyphenyl)-2H-azetidene-1-yl]-5-(4-hydroxybenzylidene)-2-phenyl-3,5-dihydro-imidazol-4-one as possible antimicrobial agents was written by Srivastava, B. B. L.. And the article was included in International Journal of ChemTech Research in 2013.Computed Properties of C8H8O3 This article mentions the following:

A series of 3-[3-chloro-4-hydroxy-2(4-hydroxyphenyl)-2H-azetidene-1-yl]-5-(4-hydroxybenzylidene)-2-phenyl-3,5-dihydro-imidazol-4-one was synthesized. All these compounds were screened for their antimicrobial activity against three microorganism Staphylococcus aureus, Enterococcus faecalis, and Escherichia coli. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-5-methoxybenzaldehyde (cas: 57179-35-8Computed Properties of C8H8O3).

3-Hydroxy-5-methoxybenzaldehyde (cas: 57179-35-8) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. Ethers can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Computed Properties of C8H8O3

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

pK_a Prediction from “Quantum Chemical Topology” Descriptors was written by Harding, A. P.;Wedge, D. C.;Popelier, P. L. A.. And the article was included in Journal of Chemical Information and Modeling in 2009.Name: 2-(4-Methoxyphenoxy)acetic acid This article mentions the following:

Knowing the pK_a of a compound gives insight into many properties relevant to many industries, in particular the pharmaceutical industry during drug development processes. In light of this, we have used the theory of Quantum Chem. Topol. (QCT), to provide ab initio descriptors that are able to accurately predict pK_a values for 228 carboxylic acids. This Quantum Topol. Mol. Similarity (QTMS) study involved the comparison of 5 increasingly more expensive levels of theory to conclude that HF/6-31G(d) and B3LYP/6-311+G(2d,p) provided an accurate representation of the compounds studies. We created global and subset models for the carboxylic acids using Partial Least Square (PLS), Support Vector Machines (SVM), and Radial Basis Function Neural Networks (RBFNN). The models were extensively validated using 4-, 7-, and 10-fold cross-validation, with the validation sets selected based on systematic and random sampling. HF/6-31G(d) in conjunction with SVM provided the best statistics when taking into account the large increase in CPU time required to optimize the geometries at the B3LYP/6-311+G(2d,p) level. The SVM models provided an average q² value of 0.886 and an RMSE value of 0.293 for all the carboxylic acids, a q² of 0.825 and RMSE of 0.378 for the ortho-substituted acids, a q² of 0.923 and RMSE of 0.112 for the para- and meta-substituted acids, and a q² of 0.906 and RMSE of 0.268 for the aliphatic acids. Our method compares favorably to ACD/Laboratories, VCCLAB, SPARC, and ChemAxon’s pK_a prediction software based of the RMSE calculated by the leave-one-out method. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4Name: 2-(4-Methoxyphenoxy)acetic acid).

2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides.Name: 2-(4-Methoxyphenoxy)acetic acid

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Computer-Aided Design of New Physical Solvents for Hydrogen Sulfide Absorption was written by Orlov, Alexey A.;Marcou, Gilles;Horvath, Dragos;Cabodevilla, Alvaro Echeverria;Varnek, Alexandre;Meyer, Frederick de. And the article was included in Industrial & Engineering Chemistry Research in 2021.SDS of cas: 111-77-3 This article mentions the following:

Treatment of hydrogen sulfide (H₂S) is important in many industrial processes including oil refineries, natural and biogas processing, and coal gasification. The most mature technol. for the selective capture of H₂S is based on its absorption by chem. or phys. solvents. However, only several compounds are currently used as phys. (co)solvents in industry, and the search for new ones is an important task. The exptl. screening of phys. (co)solvents requires much time and many resources, while solubility modeling might enable one to reduce the number of solvents for the exptl. evaluation. In this study, a workflow for the in silico discovery of new phys. solvents for H₂S absorption was suggested and exptl. validated. A data set composed of 99 H₂S phys. solvents was collected and predictive quant. structure-property relationships for H₂S solubility were built using a random forest algorithm and two types of mol. descriptors: ISIDA fragments and quantum-chem. descriptors. Virtual screening of industrially produced chems. and their structural analogs enabled identification of the ones with predicted high solubility values. They can be suggested as starting points for further exploration of the H₂S phys. solvents chem. space. The predicted solubility value for one of the compounds found in virtual screening, 1,3-dimethyl-2-imidazolidinone, was confirmed exptl. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3SDS of cas: 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides. Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.SDS of cas: 111-77-3

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Determination of Average Coulombic Efficiency for Rechargeable Magnesium Metal Anodes in Prospective Electrolyte Solutions was written by Attias, Ran;Dlugatch, Ben;Blumen, Omer;Shwartsman, Keren;Salama, Michal;Shpigel, Netanel;Sharon, Daniel. And the article was included in ACS Applied Materials & Interfaces in 2022.Recommanded Product: 112-49-2 This article mentions the following:

The design of electrolyte solutions that permit reversible and efficient Mg metal electrodeposition is one of the most important tasks in the development of rechargeable Mg batteries. Several types of electrolyte solutions for Mg metal anodes have been developed and explored over the last two decades. These investigations have contributed to a better understanding of the Mg deposition and stripping processes. However, the Coulombic efficiency (CE) for reversible electrodeposition reported for these various systems and their performance in comparison to one another remained unclear. We used rigorous electrochem. methods to accurately quantify the average CE of the major electrolyte solutions considered for secondary Mg metal batteries. We demonstrated how changes in the experiential protocols influence CE measurements, resulting in inconsistent reports. Even though exceptional efficiency has been reported for a variety of systems, we discovered that the only candidate that currently meets the 99% CE benchmark during a prolonged cycling procedure is the dichloro-complex, which is a first-generation Grignard-based electrolyte solution Second- and third-generation Grignard-free and chloride-free solutions showed reasonable CE only when the deposition currents densities were lowered. This comprehensive and systematic investigation will help to create a more accurate treasure map for potential electrolyte solutions for rechargeable Mg metal anodes. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Recommanded Product: 112-49-2).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. Ethyl ether is an excellent solvent for extractions and for a wide variety of chemical reactions. It is also used as a volatile starting fluid for diesel engines and gasoline engines in cold weather. Dimethyl ether is used as a spray propellant and refrigerant. Methyl t-butyl ether (MTBE) is a gasoline additive that boosts the octane number and reduces the amount of nitrogen-oxide pollutants in the exhaust. The ethers of ethylene glycol are used as solvents and plasticizers.Recommanded Product: 112-49-2

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Metal-acid nanoplate-supported ultrafine Ru nanoclusters for efficient catalytic fractionation of lignin into aromatic alcohols was written by Ullah, Naseeb;Odda, Atheer Hameid;Liang, Kuang;Kombo, Miza Ali;Sahar, Shafaq;Ma, Liu-Bo;Fang, Xiao-Xiang;Xu, An-Wu. And the article was included in Green Chemistry in 2019.Category: ethers-buliding-blocks This article mentions the following:

The catalytic fractionation of lignin in a native lignocellulose matrix is crucial to the comprehensive achievement of sustainable and green chems. Herein, we prepared a novel metal-acid bifunctional nanocomposite of finely scattered metallic Ru nanoclusters (NCs) sustained on porous hafnium phosphate nanoplates (α-HfP NPs) to effectively depolymerise lignocellulosic biomass. A native lignin fraction of pine lignocellulose was promptly depolymerised into 19.86 wt% yield (lignin based) of valuable phenolic monomers (with dihydroeugenol as the main compound with high selectivity) and few cyclic ketones through one-pot catalytic reductive fractionation under mild conditions (190 °C, 3.5 MPa H₂). Detailed scanning and transmission electron microscopy, XPS, and temperature-programmed desorption ammonia investigation correlated with the obtained results revealed that the metal-acid synergistic influence and the presence of Bronsted acid sites in the support for dehydration and the well-dispersed metallic role of Ru NCs for hydrodeoxygenation were responsible for the cleavage of lignin-carbohydrate (ester and ether linkages) bonds. Moreover, treating com. lignin as a substrate in an organic solvent generated 4-hydroxy-3-methoxybenzaldehyde (vanillin) in high yield, as well as other functionalised phenolic monomers up to 85% selectivity, illustrating the high susceptibility of Ru/α-HfP NPs towards C-O bond cleavage through reductive fractionation. Multiple recycling tests of the catalyst were performed without any apparent loss of activity. Overall, this report highlighted the potential of the synthesis strategy of the metal-acid supported catalyst to immediately depolymerise untreated biomass and can thus encourage the green, cost-efficient, large-scale production of intermediate chems. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Category: ethers-buliding-blocks).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Category: ethers-buliding-blocks

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthesis of 2-aryloxymethylbenzimidazole-1-propionitrile derivatives under microwave irradiation was written by Wei, Tai-bao;Hua, Mao-tang;Li, Xin-lin;Zhang, You-ming. And the article was included in Xibei Shifan Daxue Xuebao, Ziran Kexueban in 2012.HPLC of Formula: 1877-75-4 This article mentions the following:

A series of new 2-aryloxymethylbenzimidazole-1-propionitrile derivatives were synthesized by aza-Michael addition under micro wave-irradiation and characterized by elemental anal., IR, ¹HNMR and ¹³CNMR. The mol. structure of 4e was determined by single crystal X-ray diffraction. The cell packing diagram shows that the complex is self-assembled with 1-dimensional supramol. chain supported by H-bonds and π-π interactions. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4HPLC of Formula: 1877-75-4).

2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. Ethyl ether is an excellent solvent for extractions and for a wide variety of chemical reactions. It is also used as a volatile starting fluid for diesel engines and gasoline engines in cold weather. Dimethyl ether is used as a spray propellant and refrigerant. Methyl t-butyl ether (MTBE) is a gasoline additive that boosts the octane number and reduces the amount of nitrogen-oxide pollutants in the exhaust. The ethers of ethylene glycol are used as solvents and plasticizers.HPLC of Formula: 1877-75-4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

2,3-Dimethoxy-5-methyl-p-benzoquinone (coenzyme Q₀) disrupts carbohydrate metabolism of HeLa cells by adduct formation with intracellular free sulfhydryl-groups, and induces ATP depletion and necrosis was written by Takahashi, Takayuki;Mine, Yukitoshi;Okamoto, Tadashi. And the article was included in Biological & Pharmaceutical Bulletin in 2018.Category: ethers-buliding-blocks This article mentions the following:

2,3-Dimethoxy-5-methyl-p-benzoquinone is a common chem. structure of coenzyme Q (CoQ) that conjugates different lengths of an isoprenoid side chain at the 6-position of the p-benzoquinone ring. In a series of studies to explore the cytotoxic mechanism of CoQ homologues with a short isoprenoid side chain, we found that a CoQ analog without an isoprenoid side chain, CoQ₀, showed marked toxicity against HeLa cells in comparison with cytotoxic homologues. The CoQ₀-induced cell death was accompanied by a decrease in endogenous non-protein and protein-associated sulfhydryl (SH)-groups, but this improved with the concomitant addition of compounds with SH-groups but not antioxidants without SH-groups. In addition, UV-spectrum anal. suggested that CoQ₀ could rapidly form S-conjugated adducts with compounds with SH-groups by Michael addition On the other hand, enzyme activities of both glyceraldehyde-3-phosphate dehydrogenase, which has a Cys residue in the active site, and a-ketoglutarate dehydrogenase complex, which requires cofactors with SH-groups, CoA and protein-bound a-lipoic acid, and CoA and ATP contents in the cells were significantly decreased by the addition of CoQ₀ but not CoQ₁. These results suggest that CoQ₀ rapidly forms S-conjugate adducts with these endogenous non-protein and protein-associated SH-groups of HeLa cells, which disrupts carbohydrate metabolism followed by intracellular ATP depletion and necrotic cell death. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Category: ethers-buliding-blocks).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.Category: ethers-buliding-blocks

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

SnOct₂-catalyzed and alcohol-initiated ROPs of L-lactide – About the influence of initiators on chemical reactions in the melt and the solid state was written by Weidner, Steffen M.;Meyer, Andreas;Falkenhagen, Jana;Kricheldorf, Hans R.. And the article was included in European Polymer Journal in 2021.Reference of 111-77-3 This article mentions the following:

SnOct₂ (Sn(II) 2-ethylhexanoate) catalyzed ROPs of L-lactide were performed in bulk with eight different alcs. as initiators. The time was varied between 1 h and 24 h for all initiators. For two initiators the temperature was also lowered to 115°C. Even-numbered chains were predominantly formed in all polymerizations at short times, but the rate of transesterification (e.g. even/odd equilibration) and the mol. weight distribution were found to depend significantly on the nature of the initiator. Observed transesterification reactions also continued in solid poly(L-lactide), and with the most active initiator, almost total equilibration was achieved even at 130°C. This means that all chains including those of the crystallites were involved in transesterification reactions proceeding across the flat surfaces of the crystallites. The more or less equilibrated crystalline polylactides were characterized by DSC and SAXS measurements with regard to their melting temperature (T_m), crystallinity and crystal thickness. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Reference of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil. Ethers can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Reference of 111-77-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Diazocine-functionalized TATA platforms was written by Loew, Roland;Rusch, Talina;Roehricht, Fynn;Magnussen, Olaf;Herges, Rainer. And the article was included in Beilstein Journal of Organic Chemistry in 2019.Electric Literature of C8H9NO3 This article mentions the following:

Recently, it has been shown that the thermochem. cis→trans isomerization of azobenzenes is accelerated by a factor of more than 1000 by electronic coupling to a gold surface via a conjugated system with 11 bonds and a distance of 14 Å. The corresponding mol. architecture consists of a platform (triazatriangulenium (TATA)) which adsorbs on the gold surface, with an acetylene spacer standing upright, like a post in the middle of the platform and the azobenzene unit mounted on top. The rate acceleration is due to a very peculiar thermal singlet-triplet-singlet mechanism mediated by bulk gold. To investigate this mechanism further and to examine scope and limitation of the “spin-switch catalysis” we now prepared analogous diazocine systems. Diazocines, in contrast to azobenzenes, are stable in the cis-configuration. Upon irradiation with light of 405 nm the cis-configuration isomerizes to the trans-form, which slowly returns back to the stable cis-isomer. To investigate the thermal trans→cis isomerization as a function of the conjugation to the metal surface, we connected the acetylene spacer in meta (weak conjugation) and in para (strong conjugation) position. Both isomers form ordered monolayers on Au(111) surfaces. In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8Electric Literature of C8H9NO3).

3-Methyl-4-nitroanisole (cas: 5367-32-8) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.Electric Literature of C8H9NO3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem