Month: February 2023

Effects of zwitterionic molecules on ionic association in ethylene oxide-based electrolytes was written by Nguyen, Manh Tien;Shao, Qing. And the article was included in Fluid Phase Equilibria in 2020.Reference of 112-49-2 This article mentions the following:

This work investigates the effect of zwitterionic mols. on ionic association in ethylene oxide (EO)-based electrolytes using mol. dynamics simulations. Zwitterionic mols. can associate with cations and anions because they possess both pos. and neg. charged groups. This unique feature can be leveraged to develop electrolytes with high ionic conductivity if we understand how zwitterionic mols. influence ionic associations We investigate the ionic associations in the electrolytes composed of oligo(ethylene oxide) (EO) (EO_x, x = 2, 3, 4, and 5), LiTFSI and zwitterionic mols. containing cationic imidazole group and anionic sulfonate group using mol. dynamics simulations. The analyzed properties include the radial distribution functions between Li⁺, [TFSI]^–, EO_x and zwitterionic mols., the structures and dynamics of Li⁺-[TFSI]^–, Li⁺– EO_x and Li⁺-zwitterion associations, and the diffusion coefficients of Li⁺, [TFSI]^–, EO_x and zwitterionic mols. The simulation results show two distinct effects of zwitterionic mols. on ionic associations in the electrolytes. First, they could release Li⁺ from the trapping effect of EO_x chains and accelerate Li⁺ transport. Second, they can associate with Li⁺ themselves and slow down the Li⁺ transport. The competition between these two effects relates to the length of the EO_x chains. Our simulations suggest that zwitterionic mols. could help manipulate the ionic conductivity of polyethylene oxide electrolytes. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Reference of 112-49-2).

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 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.Reference of 112-49-2

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

Microwave irradiation of lignocellulosic materials V. Effects of microwave irradiation on enzymic susceptibility of crystalline cellulose was written by Azuma, Junichi;Asai, Toshihiro;Isaka, Masao;Koshijima, Tetsuo. And the article was included in Journal of Fermentation Technology in 1985.Application In Synthesis of 3-(3,4-Dimethoxyphenyl)propan-1-ol This article mentions the following:

The usefulness of various treatments was compared in the enzymic saccharification of microwave-irradiated crystalline cellulose (Whatman CF11). The variations include the extent of enzymic saccharification, the treatment temperature suitable for enzymic saccharification, and the effects of AcOH, lignin, and monomeric lignin model compounds on the extent of enzymic saccharification. The effects of microwave irradiation alone were evaluated. When cellulose suspended in water was heated above 180°, partial acid hydrolysis occurred. The extent of hydrolysis increased with an increase in temperature but did not exceed 3% even at 235°, where 0.03 mequiv of acid and cellooligosaccharides having a d.p. of 2-6 as well as glucose were produced. Although the presence of AcOH increased reducing sugar production by a factor of 2.2-3.8, lignin did not induce degradation of cellulose. The extent of enzymic saccharification of cellulose was greatly enhanced by microwave irradiation pretreatment in the presence of water above 220° and reached 43.2% at 240° at cellulose and enzyme concentrations of 2.0 and 0.2%, resp. The presence of AcOH facilitated the enzymic susceptibility and the extent of saccharification reached 69.2% at 240°. Lignin also facilitated the enzymic susceptibility but its action was limited to temperatures below 200°, above which lignin inhibited enzymic attack. The enhancement of the enzymic susceptibility by lignin was further promoted by the addition of AcOH. In this case, the maximal extent of saccharification was 41.5% at 200°, indicating that the temperature needed to reach 42-43% saccharification could be lowered for 40° by a synergistic effect between lignin and AcOH. Combinations of AcOH and monomeric lignin model compounds also show synergistic effects. However, lignin model compounds did not inhibit the enzyme reaction above 200° in contrast to the case of lignin. An unsaturated C-C double bond in the substituent of benzene ring seems to be important in the synergistic effect, whereas phenolic OH groups are of minor importance. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Application In Synthesis of 3-(3,4-Dimethoxyphenyl)propan-1-ol).

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. 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).Application In Synthesis of 3-(3,4-Dimethoxyphenyl)propan-1-ol

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

Photodynamic Therapy Directed by Three-Photon Active Rigid Plane Organic Photosensitizer was written by Cao, Hongzhi;Fang, Bin;Liu, Jiejie;Shen, Yu;Shen, Jie;Xiang, Pan;Zhou, Qin;De Souza, Senio Campos;Li, Dandan;Tian, Yupeng;Luo, Lei;Zhang, Zhongping;Tian, Xiaohe. And the article was included in Advanced Healthcare Materials in 2021.Recommanded Product: 111-77-3 This article mentions the following:

Multi-photon photosensitizers (PSs) could significantly improve the efficacy of photodynamic therapy due to the long-wavelength favorability for deeper tissue penetration and lower biol. damage. However, most studies are limited to single-photon or two-photon PSs at a relatively short-wave excitation window. To overcome this barrier, we rationally design a series of rigid plane compounds with efficient reactive oxygen species (ROS) production in vitro under laser irradiation Furthermore, the studies show that one of the compounds (U-TsO) could induce rapid multi-types of cell death under three-photon exposure, suggesting a promising clin. outcome in ex vivo 3D multicellular tumor spheroid. This work offers a novel strategy to construct functional materials with competitive multi-photon photodynamic therapy (PDT) outcome. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3Recommanded Product: 111-77-3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) 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).Recommanded Product: 111-77-3

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

Neotropical ant gardens: I. Chemical constituents was written by Seidel, J. L.;Epstein, W. W.;Davidson, D. W.. And the article was included in Journal of Chemical Ecology in 1990.Computed Properties of C8H8O3 This article mentions the following:

In ant gardens of lowland Amazonia, parabiotic ant species Camponotus femoratus and Crematogaster cf. limata parabiotica cultivate a taxonomically diverse group of epiphtic plants, whose establishment is restricted to arboreal carton ant nests. Epiphyte seeds are collected by workers of C. femoratus, the larger of the 2 ants, and stored unharmed in brood chambers where they subsequently germinate. Although seeds of some ant-garden epiphytes bear nutritional rewards, previous studies have shown that these rewards are not sufficient to explain the pattern of ant attraction to seeds. Five aromatic compounds occur frequently in and on the seeds of most ant garden epiphytes and may be chem. cues by which ants recognize propagules of their symbiotic plants. The most widely distributed of these is Me 6-methylsalicylate (6-MMS), previously reported as a major mandibular gland product in related Camponotus species and present in trace quantities in C. femoratus males. (-)-Citronellol (previously unreported in Camponotus) was the principal volatile constituent in extracts of male heads, and (-)-mellein was present in small quantities. Discovery of 6-MMS inside the mandibular glands of male C. femoratus (and its presence in analogous glands of related ants) offers preliminary support for Ule’s (1906) hypothesis that seeds attract ants by mimicking ant brood. In addition, the likely fungistatic activity of seed compounds suggests that they could retard microbial pathogens of ants and plants in the organic detritus of nest gardens. While the presence of identical seed compounds in so many unrelated plant lineages might represent a remarkable case of convergent evolution, other interpretations are possible. 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. 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).Computed Properties of C8H8O3

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

Ambident reactivity of anisole and p-iodoanisole toward phenylium cations and evidence for ipso-attack in cationic phenylation was written by Eustathopoulos, Helene;Court, Jean;Bonnier, Jane Marie. And the article was included in Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) in 1983.Quality Control of 4-Iodo-1-methoxy-2-methylbenzene This article mentions the following:

The phenylation of p-IC₆H₄OMe in the thermolysis of PhN₂BF₄ gave, inter alia,p-MeOC₆H₄Ph and 4-IC₆H₄OPh, showing ipso-attack and attack on O by Ph⁺. With PhOMe, the O atom of the MeO substituent is also attacked by Ph⁺ giving Ph₂O through the initial formation of Ph₂O⁺Me followed by intermol. demethylation. No intramol. rearrangement occurs with the oxonium ion. The mechanism involves kinetically predominant C-phenylation of both substrates. BF₃ promotes deiodination of p-IC₆H₄OMe and its phenylated isomers. This deiodination invalidates the conclusions drawn from isomer distributions; therefore the presence of BF₃ must be carefully controlled in a mechanistic study. In the experiment, the researchers used many compounds, for example, 4-Iodo-1-methoxy-2-methylbenzene (cas: 75581-11-2Quality Control of 4-Iodo-1-methoxy-2-methylbenzene).

4-Iodo-1-methoxy-2-methylbenzene (cas: 75581-11-2) 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. But ether is more polar than alkenes. 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.Quality Control of 4-Iodo-1-methoxy-2-methylbenzene

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

Microwave-assisted O-alkylation of carboxylic acids in dry media: Expeditious synthesis of 2-Oxo-2-arylethyl carboxylates was written by Li, Z.;Quan, Z. J.;Wang, X. C.. And the article was included in Chemical Papers in 2004.Reference of 1877-75-4 This article mentions the following:

Microwave-assisted O-alkylation reactions of carboxylic acids, such as aryloxyacetic acids, 4-chlorobenzoic acid, (un)substituted furoic acids, and benzofuroic acid, with (un)substituted ω-haloacetophenones in dry media under phase-transfer catalysis are described. 2-Oxo-2-arylethyl carboxylates are expeditiously synthesized by this method in high yield using Bu₄NBr as catalyst. 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. 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.Reference of 1877-75-4

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

Pharmacology of the monomethyl ethers of mono-, di-, and tripropylene glycol in the dog with observations of the auricular fibrillation produced by these compounds was written by Shideman, F. E.;Procita, Leonard. And the article was included in Journal of Pharmacology and Experimental Therapeutics in 1951.Recommanded Product: 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol This article mentions the following:

In dogs, the above compounds are central nervous system and cardiac depressants of low toxicity. Death in the intact animal results from respiratory failure. In the anesthetized, artificially respired dog appropriate intravenous doses consistently produce auricular fibrillation. Auricular anoxia, depressed conduction and heart block with ventricular asystole, and increased intra-auricular pressure all appear to be important factors in production of this arrhythmia. In the experiment, the researchers used many compounds, for example, 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol (cas: 20324-33-8Recommanded Product: 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol).

1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol (cas: 20324-33-8) 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. 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.Recommanded Product: 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol

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

Transition-Metal-Free Alkylative Aromatization of Tetralones using Alcohols/Amino Alcohols Toward the Synthesis of Bioactive Naphthol and Benzo[e/g]indole Derivatives was written by Ubale, Akash S.;Londhe, Gokul S.;Shaikh, Moseen A.;Gnanaprakasam, Boopathy. And the article was included in Journal of Organic Chemistry in 2022.Name: (4-Methoxyphenyl)methanol This article mentions the following:

Herein, the synthesis of bioactive naphthols I (R¹ = H, 6-Br, 6-MeO, 7-MeO; R² = Ph, 3-MeC₆H₄, 2-thienyl, etc.) and II or benzindoles III (R³ = Me, Et, PhCH₂, etc.) and IV by alkylative aromatization of the corresponding 1- and 2-tetralones with alcs. R²CH₂OH or amino alcs. H₂NCHR³CH₂OH in the presence of NaOH using aerobic oxidative cross-coupling protocol is reported. This is a general and transition-metal-free method, which uses an inexpensive base, does not require inert conditions, and furnishes water and hydrogen peroxide as byproducts. Moreover, this method is compatible with a wide substrate scope and showed exclusive regioselectivity. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Name: (4-Methoxyphenyl)methanol).

(4-Methoxyphenyl)methanol (cas: 105-13-5) 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. 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.Name: (4-Methoxyphenyl)methanol

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

Profiling allergic asthma volatile metabolic patterns using a headspace-solid phase microextraction/gas chromatography based methodology was written by Caldeira, M.;Barros, A. S.;Bilelo, M. J.;Parada, A.;Camara, J. S.;Rocha, S. M.. And the article was included in Journal of Chromatography A in 2011.Category: ethers-buliding-blocks This article mentions the following:

Allergic asthma represents an important public health issue with significant growth over the years, especially in the pediatric population. Exhaled breath is a non-invasive, easily performed and rapid method for obtaining samples from the lower respiratory tract. In the present manuscript, the metabolic volatile profiles of allergic asthma and control children were evaluated by headspace solid-phase microextraction combined with gas chromatog.-quadrupole mass spectrometry (HS-SPME/GC-qMS). The lack of studies in breath of allergic asthmatic children by HS-SPME led to the development of an exptl. design to optimize SPME parameters. To fulfil this objective, three important HS-SPME exptl. parameters that influence the extraction efficiency, namely fiber coating, temperature and time extractions were considered. The selected conditions that promoted higher extraction efficiency corresponding to the higher GC peak areas and number of compounds were: DVB/CAR/PDMS coating fiber, 22° and 60 min as the extraction temperature and time, resp. The suitability of two containers, 1 L Tedlar bags and BIOVOC for breath collection and intra-individual variability were also investigated. The developed methodol. was then applied to the anal. of children exhaled breath with allergic asthma (35), from which 13 had also allergic rhinitis, and healthy control children (15), allowing to identify 44 volatiles distributed over the chem. families of alkanes (linear and ramified) ketones, aromatic hydrocarbons, aldehydes, acids, among others. Multivariate studies were performed by Partial Least Squares-Discriminant Anal. (PLS-DA) using a set of 28 selected metabolites and discrimination between allergic asthma and control children was attained with a classification rate of 88%. The allergic asthma pediatric population was characterized mainly by the compounds linked to oxidative stress, such as alkanes and aldehydes. Furthermore, more detailed information was achieved combining the volatile metabolic data, suggested by PLS-DA model, and clin. data. In the experiment, the researchers used many compounds, for example, 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol (cas: 20324-33-8Category: ethers-buliding-blocks).

1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol (cas: 20324-33-8) 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 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.Category: ethers-buliding-blocks

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

Design, synthesis and molecular docking of amide and urea derivatives as Escherichia coli PDHc-E1 inhibitors was written by He, Jun-Bo;Ren, Yan-Liang;Sun, Qiu-Shuang;You, Ge-Yun;Zhang, Li;Zou, Peng;Feng, Ling-Ling;Wan, Jian;He, Hong-Wu. And the article was included in Bioorganic & Medicinal Chemistry in 2014.Application In Synthesis of 2-(4-Methoxyphenoxy)acetic acid This article mentions the following:

By targeting the ThDP binding site of Escherichia coli PDHc-E1, two new ‘open-chain’ classes of E. coli PDHc-E1 inhibitors, amide and urea derivatives, were designed, synthesized, and evaluated. The amide derivative I showed the most potent inhibition of E. coli PDHc-E1. The urea derivatives displayed more potent inhibitory activity than the corresponding amide derivatives with the same substituent. Mol. docking studies confirmed that the urea derivatives have more potency due to the two hydrogen bonds formed by two NH of urea with Glu522. The docking results also indicate it might help us to design more efficient PDHc-E1 inhibitors that could interact with Glu522. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4Application In Synthesis of 2-(4-Methoxyphenoxy)acetic acid).

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. 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).Application In Synthesis of 2-(4-Methoxyphenoxy)acetic acid

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