Month: February 2023

New methods for calculating the temperatures and the enthalpy changes of virtual transitions and predicting phase diagrams – applied to the tolans was written by Domon, M.;Buisine, J. M.. And the article was included in Molecular Crystals and Liquid Crystals in 1987.Reference of 39969-26-1 This article mentions the following:

For a mesogen which does not exhibit an enantiotropic nematic phase when pure, 2 methods are proposed for the determination of the temperatures and enthalpy changes of the nematic-isotropic liquid virtual transitions. These calculations, based on Schroeder-van Laar and van Laar equations, use the value of the liquid appearance temperature for mixtures of the compound with another mesogen which exhibits the enantiotropic mesophase when pure. Both methods are applied to the study of the 1st 10 compounds in the 4-methoxy-4′-alkyltolan series. The results are used to determine the eutectic, liquid appearance and nematic disappearance temperatures of mixtures of 2 tolans that do not exhibit an enantiotropic nematic phase when pure. In 7 cases, an enantiotropic nematic phase is predicted and observed; in 1 case, the phase diagram differs from that expected; for the remainder, the calculated and exptl. data agree. In the experiment, the researchers used many compounds, for example, 1-Methoxy-4-((4-propylphenyl)ethynyl)benzene (cas: 39969-26-1Reference of 39969-26-1).

1-Methoxy-4-((4-propylphenyl)ethynyl)benzene (cas: 39969-26-1) 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.Reference of 39969-26-1

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

Mo-Based Oxidizers as Powerful Tools for the Synthesis of Thia- and Selenaheterocycles was written by Franzmann, Peter;Beil, Sebastian B.;Schollmeyer, Dieter;Waldvogel, Siegfried R.. And the article was included in Chemistry – A European Journal in 2019.Reference of 3929-47-3 This article mentions the following:

A highly efficient synthetic protocol for the synthesis of thia- and selenaheterocycles has been developed. By employing a MoCl₅-mediated intramol. dehydrogenative coupling reaction, a broad variety of structural motifs was isolated in yields up to 94 % [e.g., bis(2-(3,4-dimethoxyphenyl)ethyl) disulfide → 4,5-dimethoxybenzothiophene (65 %) in the presence of MoCl₅ + TiCl₄ (2 equiv)]. The electrophilic key transformation is tolerated by several labile moieties like halides and tertiary alkyl groups. Due to the use of disulfide or diselenide precursors, a high atom efficiency was achieved. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Reference of 3929-47-3).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) 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. 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).Reference of 3929-47-3

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

Influence of hydrogen bond on the mesomorphic behaviour in urethane based liquid crystalline compounds: Experimental and computer simulation study was written by Korkmaz, Burak;Agtas, Sinem;Sutay, Berkay;Yildirim, Erol;Yilgor, Iskender;Yurtsever, Mine;Senkal, B. Filiz;Gursel, Yesim. And the article was included in Journal of Molecular Liquids in 2020.Product Details of 111-77-3 This article mentions the following:

We present a combined exptl. and theor. study on the novel hydrogen-bonded liquid crystalline complex (UR-LC11) exhibiting both nematic and smectic phases upon cooling. The complex was prepared by mixing 2-(2-methoxyethoxy)ethylbutyl carbamate (UR) as H-bond acceptor with calamitic mesogen 4′-((11-hydroxyundecyl)oxy)-[1,1′-biphenyl]-4-carbonitrile (LC11) as H-bond donor. The complex was characterized by FTIR technique and its liquid crystalline properties were studied by differential scanning calorimetry (DSC) and polarized optical microscope (POM). The exptl. IR spectra were compared with theor. obtained IR spectra by D. Functional Theory (DFT) to suggest the structure of hydrogen-bonded liquid crystal (LC). The mol. dynamics (MD) simulations were performed to understand the impact of hydrogen bonding on the mesomorphic behavior of the complex and the temperature dependency of the transitions between the mesophases. We determined that UR-LC11 is a stable H-bond acceptor/donor type complex and a single H-bond forms between the carbonyl oxygen atom of the amide moiety of UR and the hydrogen atom of the terminal hydroxyl group of the LC11. Although LC11 is present only in nematic liquid crystalline form, the new complex displayed both nematic and smectic phases during cooling. The reason for the two distinctive LC phases was explained by the presence of hydrogen bond interactions, which provides structural flexibility. Besides, H-bond maintains uniaxial rod shape of the mol. to promote self-assembly behavior and induces positional ordering in the smectic phase. The enhancement in the self-assembly of the H-bonded chains in the complex is reflected in the increased ΔH_fusion values. Due to the intermol. π-π interactions of the Ph rings and the formation of strong dipoles on the backbone, especially at the cyanobiphenyl end of the chains, the long-range directional order of the dipoles along their long axes are preserved at elevated temperatures and nematic to isotropic phase transition is observed at around 370 K both exptl. and theor. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Product Details of 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 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.Product Details of 111-77-3

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

Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide-glyme systems: coordination in MD simulations with scaled charges was written by Thum, Andreas;Heuer, Andreas;Shimizu, Karina;Canongia Lopes, Jose Nuno. And the article was included in Physical Chemistry Chemical Physics in 2020.Safety of 2,5,8,11-Tetraoxadodecane This article mentions the following:

Equimolar mixtures of lithium bis(trifluoromethanesulfonyl)imide (Li[NTf₂]) with triglyme or tetraglyme (small oligoethers) are regarded as a new class of ionic liquids, the so-called solvate ionic liquids In these mixtures, the glyme mols. wrap around the lithium ions forming crown-ether like [Li(glyme)₁]⁺ complex cations. New mol. dynamics (MD) simulations suggest that the lithium-glyme coordination is stronger than that predicted in a former MD study, whereas lithium-NTf₂ connections are weaker. The differences between the present and the previous study arise from different starting conditions. Both studies employed charges scaled by a factor of 0.8. As shown by the comparison of MD simulations with and without reduced charges to experiments, charge scaling is necessary in order to obtain data close to exptl. results. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Safety of 2,5,8,11-Tetraoxadodecane).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) 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.Safety of 2,5,8,11-Tetraoxadodecane

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

Stable Dendrite-Free Sodium-Sulfur Batteries Enabled by a Localized High-Concentration Electrolyte was written by He, Jiarui;Bhargav, Amruth;Shin, Woochul;Manthiram, Arumugam. And the article was included in Journal of the American Chemical Society in 2021.Category: ethers-buliding-blocks This article mentions the following:

Ambient-temperature sodium-sulfur batteries are an appealing, sustainable, and low-cost alternative to lithium-ion batteries due to their high material abundance and specific energy of 1274 W h kg^-1. However, their viability is hampered by Na polysulfide (NaPS) shuttling, Na loss due to side reactions with the electrolyte, and dendrite formation. Here, we demonstrate that a solid-electrolyte interphase rich in inorganic components can be realized at both the sulfur cathode and the Na anode by tweaking the solvation structure of the electrolyte. This transforms the sulfur redox process from conventional dissolution-precipitation chem. into a quasi-solid-state reaction, which eliminates NaPS shuttling and facilitates dendrite-free Na-metal plating and stripping. With the solvated ionic liquid electrolyte structure, a high initial capacity of 922 mA h g^-1 with a capacity fade of as low as 0.10% per cycle over 300 cycles was achieved. The scalability of this approach to pouch cells with practically necessary parameters demonstrates its potential for practical viability. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Category: ethers-buliding-blocks).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) 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 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.Category: ethers-buliding-blocks

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

Iminopyridyl ligands bearing polyethylene glycol unit for nickel catalyzed ethylene polymerization was written by Yu, Fan;Li, Pei;Xu, Mengli;Xu, Guoyong;Na, Yinna;Zhang, Shaojie;Wang, Fuzhou;Tan, Chen. And the article was included in Polymer in 2021.Application of 111-77-3 This article mentions the following:

Influence of polyethylene glycol unit on nickel catalyzed ethylene polymerization have attracted increasing interest. The Lewis basic oxygen atoms on polyethylene glycol group can form interactions with Lewis acidic metal additives. In this contribution, a series of iminopyridyl ligands (L-O1, L-O2 and L-O3) bearing polyethylene glycol units and corresponding nickel complexes (Ni-O1, Ni-O2 and Ni-O3) were designed, synthesized and characterized. By the activation of alkylaluminium cocatalysts, the nickel complexes and their corresponding MgCl₂-supported nickel precatalysts (Ni-O1-Mg, Ni-O2-Mg and Ni-O3-Mg) were investigated in catalytic homogeneous and heterogeneous ethylene polymerization, resp. The mol. weight of products increased with the number of oxygen atoms on polyethylene glycol unit increasing. The introduction of the MgCl₂ support resulted in much higher mol. weights and much lower branched densities of polyethylenes than those of products generated in the homogeneous polymerizations The polymers generated in heterogeneous polymerizations have excellent polymer powder morphol. to prevent reactor fouling, facilitating potential industrial applications. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Application of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) 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. 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.Application of 111-77-3

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

Product class 13: indole and its derivatives was written by Joule, J. A.. And the article was included in Science of Synthesis in 2001.Recommanded Product: 5367-32-8 This article mentions the following:

A review of preparation of indoles and its derivatives Covered reactions include cyclization, ring transformation, aromatization and substituent modifications. Subclasses covered include 1H-indol-1-ols, 1,3-dihydro-2H-indol-2-ones, and 1,2-dihydro-3H-indol-3-ones. In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8Recommanded Product: 5367-32-8).

3-Methyl-4-nitroanisole (cas: 5367-32-8) 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.Recommanded Product: 5367-32-8

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

Luminescent Vesicles Self-assembled Directly from an Amphiphilic Europium Complex in an Ionic Liquid was written by Li, Qingrun;Song, Shenghan;Feng, Zhenyu;Qiu, Juan;Sun, Meng;Chen, Xiao. And the article was included in Langmuir in 2020.Related Products of 111-77-3 This article mentions the following:

Novel luminescent vesicles with enhanced emission were achieved by an amphiphilic Eu complex through its spontaneously self-assembly in an ionic liquid, 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim]PF₆). The complex was prepared by Eu ions coordinated with terpyridine ligands, which were modified with the hydrophilic ethoxy chains. The enhanced absolute quantum yield and prolonged fluorescence lifetime of complex in vesicles were observed because of the effective shielding of the quench effects caused by both solvent and complex concentration Compared to the aggregates formed in other solvents, the vesicles obtained in [Bmim]PF₆ showed the best luminescence intensity with the quantum efficiency (37.74%) and luminescent emission lifetime (1.915 ms) both increased ∼10 times more. This Eu complex was designed to show unsaturated coordination, which made the vesicle luminescence easily quenched when contacting with H₂O. The fluorescence sensing of H₂O with this vesicle as probe was possible, where several unique properties like high sensitivity, low detection limit (0.05 volume%), visible color change, and fast response had been observed Such designed systems are expected to provide strategies to develop novel supramol. aggregates in ionic liquids and offer guidance for luminescence detection with facile and wide applications. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Related Products of 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) 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. At room temperature, ethers are pleasant-smelling colourless liquids. 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.Related Products of 111-77-3

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

“Quinone Millipedes” Reconsidered: Evidence for a Mosaic-Like Taxonomic Distribution of Phenol-Based Secretions across the Julidae was written by Bodner, Michaela;Vagalinski, Boyan;Makarov, Slobodan E.;Antic, Dragan Z.;Vujisic, Ljubodrag V.;Leis, Hans-Joerg;Raspotnig, Guenther. And the article was included in Journal of Chemical Ecology in 2016.Category: ethers-buliding-blocks This article mentions the following:

The defensive chem. of juliformian millipedes is characterized mainly by benzoquinones (“quinone millipedes”), whereas the secretions of the putative close outgroup Callipodida are considered to be exclusively phenolic. We conducted a chem. screening of julid secretions for phenolic content. Most species from tribes Cylindroiulini (15 species examined), Brachyiulini (5 species examined), Leptoiulini (15 species examined), Uncigerini (2 species examined), Pachyiulini (3 species examined), and Ommatoiulini (2 species examined) had non-phenolic, in most cases exclusively benzoquinonic secretions. In contrast, tribes Cylindroiulini, Brachyiulini, and Leptoiulini also contained representatives with predominantly phenol-based exudates. In detail, p-cresol was a major compound in the secretions of the cylindroiulines Styrioiulus pelidnus and S. styricus (p-cresol content 93 %) and an undetermined Cylindroiulus species (p-cresol content 51 %), in the brachyiulines Brachyiulus lusitanus (p-cresol content 21 %) and Megaphyllum fagorum (p-cresol content 92 %), as well as in an undescribed Typhloiulus species (p-cresol content 32 %, Leptoiulini). In all species, p-cresol was accompanied by small amounts of phenol. The secretion of M. fagorum was exclusively phenolic, whereas phenols were accompanied by benzoquinones in all other species. This is the first incidence of clearly phenol-dominated secretions in the Julidae. We hypothesize a shared biosynthetic route to phenols and benzoquinones, with benzoquinones being produced from phenolic precursors. The patchy taxonomic distribution of phenols documented herein supports multiple independent regression events in a common pathway of benzoquinone synthesis rather than multiple independent incidences of phenol biosynthesis. 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. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. 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

Environmentally desirable synthesis without use of organic solvent. Synthesis of aryloxyacetic acids was written by Villemin, Didier;Hammadi, Mohamed. And the article was included in Synthetic Communications in 1996.Reference of 1877-75-4 This article mentions the following:

A process using only water as solvent is described for the synthesis of aryloxyacetic acids ArOCH₂CO₂H (Ar = Ph, 4-MeOC₆H₄, 4-ClC₆H₄, 1-naphthyl, 2-naphthyl, 3,5-Cl₂C₆H₃, 2,4-ClC₆H₃) under microwave irradiation In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4Reference of 1877-75-4).

2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4) 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 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.Reference of 1877-75-4

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