Month: December 2022

Effective 3D open-channel nanostructures of a MgMn₂O₄ positive electrode for rechargeable Mg batteries operated at room temperature was written by Sone, Kazuki;Hayashi, Yoshihiro;Mandai, Toshihiko;Yagi, Shunsuke;Oaki, Yuya;Imai, Hiroaki. And the article was included in Journal of Materials Chemistry A: Materials for Energy and Sustainability in 2021.COA of Formula: C8H18O4 This article mentions the following:

Room-temperature operations of rechargeable Mg coin-cell batteries have been achieved using a Mg alloy neg. electrode and a spinel MgMn₂O₄ (MMO)-pos. electrode. The present work focuses on clarifying the effects of the physiochem. properties of the MMO powder including the sp. surface area (SBET) and porosity of the pos. electrode on Mg battery performances in practical applications. Finally, optimal sp. surface area and porosity parameters were obtained that ensured excellent battery performances as a standard coin-cell at room temperature A typical MMO powder synthesized using a modified sol-gel method with propylene oxide-driven complex polymerization had a large SBET > 200 m² g^-1, and more than 90% porosity with a triple-tiered 3D open-channel network. Here we evaluated the discharge capacity and the cyclability for room-temperature operation as a function of SBET in a full cell with a Mg neg. electrode as well as half cells with a carbon graphite electrode. Irresp. of whether half cells or a full cell was used, the initial discharge capacity was found to depend linearly on the SBET of the porous MMO powder in a Mg tetrakis(hexafluoroisopropyl)borate/triglyme electrolyte with a wide potential window, ΔE > 3.6 V. Eventually, the maximum discharge capacity of 220 mA h g^-1 was realized at 25°C in the full cell using the 3D open-channel nanostructure with SBET = 236 m2 g^-1. The cyclability in the full cell with the Mg alloy neg. electrode, however, degraded with the increasing SBET, while no cyclability degradation was observed in the half cell with the carbon electrode. A possible mechanism is discussed regarding passivation of the Mg alloy electrode in discharge/charge cycles. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2COA of Formula: C8H18O4).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) 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. 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).COA of Formula: C8H18O4

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

Design and synthesis of new tripeptide-type SARS-CoV 3CL protease inhibitors containing an electrophilic arylketone moiety was written by Konno, Sho;Thanigaimalai, Pillaiyar;Yamamoto, Takehito;Nakada, Kiyohiko;Kakiuchi, Rie;Takayama, Kentaro;Yamazaki, Yuri;Yakushiji, Fumika;Akaji, Kenichi;Kiso, Yoshiaki;Kawasaki, Yuko;Chen, Shen-En;Freire, Ernesto;Hayashi, Yoshio. And the article was included in Bioorganic & Medicinal Chemistry in 2013.Application In Synthesis of 2-(4-Methoxyphenoxy)acetic acid This article mentions the following:

We describe here the design, synthesis and biol. evaluation of a series of mols. toward the development of novel peptidomimetic inhibitors of SARS-CoV 3CL^pro. A docking study involving binding between the initial lead compound (I) and the SARS-CoV 3CL^pro motivated the replacement of a thiazole with a benzothiazole unit as a warhead moiety at the P1′ site. This modification led to the identification of more potent derivatives, including (II) (R¹ = R₂ = H; R¹ = OMe, R² = H; R¹ = H, R² = OMe; R¹ = NMe₂, H² = H; R¹ = H, R² = NMe2), with IC₅₀ or K_i values in the submicromolar to nanomolar range. In particular, compounds II (R¹ = R² = H; R¹ = H, R² = NMe₂) exhibited the most potent inhibitory activities, with K_i values of 4.1 and 3.1 nM, resp. The peptidomimetic compounds identified through this process are attractive leads for the development of potential therapeutic agents against SARS. The structural requirements of the peptidomimetics with potent inhibitory activities against SARS-CoV 3CL^pro may be summarized as follows: (i) the presence of a benzothiazole warhead at the S1′-position; (ii) hydrogen bonding capabilities at the cyclic lactam of the S1-site; (iii) appropriate stereochem. and hydrophobic moiety size at the S2-site and (iv) a unique folding conformation assumed by the phenoxyacetyl moiety at the S4-site. 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. 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. 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.Application In Synthesis of 2-(4-Methoxyphenoxy)acetic acid

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

Prediction of upper flammability limit percent of pure compounds from their molecular structures was written by Gharagheizi, Farhad. And the article was included in Journal of Hazardous Materials in 2009.Name: 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol This article mentions the following:

In this study, a quant. structure-property relationship (QSPR) is presented to predict the upper flammability limit percent (UFLP) of pure compounds The obtained model is a five parameters multi-linear equation. The parameters of the model are calculated only from chem. structure. The average absolute error and squared correlation coefficient of the obtained model over all 865 pure compounds used to develop the model are 9.7%, and 0.92, resp. 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: 20324-33-8Name: 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. 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).Name: 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol

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

Nonlinear Optical Chemosensor for Sodium Ion Based on Rhodol Chromophore was written by Poronik, Yevgen M.;Clermont, Guillame;Blanchard-Desce, Mireille;Gryko, Daniel T.. And the article was included in Journal of Organic Chemistry in 2013.HPLC of Formula: 66943-05-3 This article mentions the following:

As part of a strategy to identify good fluorescent probes based on two-photon excited fluorescence (TPEF), the sensor for sodium cation was designed bearing a rhodol chromophore linked with an aza-crown ether. An efficient synthetic route to rhodol derivatives possessing five-membered heterocycles at position 9 and their precursors that contain xanthylium salt was developed. The synthesis involves condensation of xanthylium salts bearing vinamidinium moiety at position 9, with phenylhydrazine derivatives as the key step. To accomplish the synthesis of derivatives bearing 1-aza-15-crown-5 and 1,10-diaza-18-crown-6, the Buchwald-Hartwig reaction was employed in the final stage. Electronic spectra of all prepared rhodols display strong absorption at 450-550 nm with well-resolved vibronic bands, which maintains its fine structure in a wide range of solvents. The most intensive two-photon absorption (2PA) band in the rhodol spectrum (165 GM), located at shorter wavelengths, matches well with the short-wavelength absorption band in the linear electronic spectrum and is most probably related to the two-photon allowed electronic transition S₀→S₂. The influence of cation binding on 1- and two-photon spectroscopic properties of rhodol linked with 1-aza-15-crown-5 via the phenylpyrazole bridge was studied. This probe exhibits high sensitivity and good selectivity for Na⁺ in CH₃CN. The mechanism involves the complexation of the Na⁺ by 1-aza-15-crown-5 in the probe, which induces prominent fluorescence enhancement via quenching of electron-transfer. The complexation with Na⁺ led to a significant increase of the 2PA band in the 750-800 nm region (corresponding to a two-photon allowed, 1-photon forbidden transition) for rhodol bearing 1-aza-15-crown-5, which led to the overall enhancement of the TPEF signal (approx. an order of magnitude). Thus, a turn-on fluorescent probe for sodium ion, which does not respond to many other metal species, was constructed. In the experiment, the researchers used many compounds, for example, 1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3HPLC of Formula: 66943-05-3).

1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3) 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. 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.HPLC of Formula: 66943-05-3

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

Isobaric vapor-liquid equilibrium of water + glymes binary mixtures: Experimental measurements and molecular thermodynamic modelling was written by Crespo, Emanuel A.;Chouireb, Naima;Igoudjilene, O. Tafat;Vega, Lourdes F.;Carvalho, Pedro J.;Coutinho, Joao A. P.. And the article was included in Fluid Phase Equilibria in 2020.Name: 2,5,8,11-Tetraoxadodecane This article mentions the following:

In this work, new exptl. data on the isobaric vapor-liquid equilibrium (VLE) of binary aqueous systems, with six different glycol ethers (glymes), some of which are currently used in the Selexol process, were measured at three different pressures, namely 0.05, 0.07, and 0.1 MPa. From the exptl. data, the water activity coefficients were estimated using the modified Raoult’s law and used to infer about the effect of the glymes structure on their interactions with water. Moreover, using a coarse-grain mol. model previously proposed in the framework of the soft-SAFT equation of state (EoS) for both glycols and glymes, the exptl. data were successfully correlated with a single state-independent binary interaction parameter and average absolute deviations from the exptl. data of 1.30 K. Furthermore, the model was used in a predictive manner to obtain the water activity coefficients in the whole composition range, providing useful insights into the systems non-ideality. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Name: 2,5,8,11-Tetraoxadodecane).

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

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

Nitration in aqueous nitric acid: the rate profile and the limiting reaction rates was written by Draper, Mark R.;Ridd, John H.. And the article was included in Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) in 1981.Safety of 3-Methyl-4-nitroanisole This article mentions the following:

Rate coefficients for the nitration of RNMe₃⁺ (R = Ph, PhCH₂, p-tolyl) were used to establish a rate profile for the reaction in 63.7-100% HNO₃ at 25°, and to estimate the NO₂⁺ concentration in the aqueous medium. The nitration kinetics of a series of reactive aromatic compounds (mainly phenolic ethers) in aqueous HNO₃ were analyzed in terms of 1st-order rate coefficients and the zero-order rate of NO₂⁺ formation. The 1st-order rate coefficients approach a limiting value with increasing reactivity of the aromatic substrates; this value is as expected for the rate-determining formation of an encounter pair (ArH.NO₂⁺; Ar = aromatic). The NO₂⁺ lifetime in 60.4% HNO₃ (t_1/2 ≈ 5 × 10^-8 s) was calculated from the zero-order rate at 25° and used to show that the ArH.NO₂⁺ encounter pair is formed via diffusion together of the components. Studies on more reactive aromatic compounds were carried out in the presence of N₂H₄, since this was shown to prevent the HNO₂-catalyzed reaction previously observed In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8Safety of 3-Methyl-4-nitroanisole).

3-Methyl-4-nitroanisole (cas: 5367-32-8) 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.Safety of 3-Methyl-4-nitroanisole

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

Selective oxidation of primary benzylic alcohols to aldehydes using NaNO₃ under ball milling was written by Wang, Jing-Fei;Lu, Li-Yu;Zhang, Pu;Qin, Yu-Jun;Guo, Zhi-Xin. And the article was included in Journal of Chemical Research in 2022.Computed Properties of C8H10O2 This article mentions the following:

A facile method for oxidation of primary benzylic alcs. to the corresponding aldehydes was reported using NaNO₃/P₂O₅ under high-speed ball-milling conditions. This approach was clean, efficient, and exhibits broad functional group compatibility. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Computed Properties of C8H10O2).

(4-Methoxyphenyl)methanol (cas: 105-13-5) 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.Computed Properties of C8H10O2

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

Enantioselective Linchpin Catalysis by SOMO Catalysis: An Approach to the Asymmetric α-Chlorination of Aldehydes and Terminal Epoxide Formation was written by Amatore, Muriel;Beeson, Teresa D.;Brown, Sean P.;MacMillan, David W. C.. And the article was included in Angewandte Chemie, International Edition in 2009.Safety of 3-(3,4-Dimethoxyphenyl)propan-1-ol This article mentions the following:

For the first time SOMO (singly occupied MO) activation has been exploited to allow a new approach to the α-chlorination of aldehydes. This transformation can be readily implemented as part of a linchpin catalysis approach to the enantioselective production of terminal epoxides. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Safety of 3-(3,4-Dimethoxyphenyl)propan-1-ol).

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. But on the other hand, ethers undergo cleavage by reaction with acids. 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.Safety of 3-(3,4-Dimethoxyphenyl)propan-1-ol

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

Effective and regioselective iodination of arenes using iron(III) nitrate in the presence of tungstophosphoric acid was written by Jafarzadeh, Mohammad;Amani, Kamal;Nikpour, Farzad. And the article was included in Canadian Journal of Chemistry in 2005.Electric Literature of C8H9IO This article mentions the following:

An easy, cheap, and effective method for iodination of various aromatic compounds takes place with mol. iodine and iron nitrate nonahydrate as the oxidant in the presence of a catalytic amount of tungstophosphoric acid in dichloromethane, with good yield and high regioselectivity under very mild conditions. In the experiment, the researchers used many compounds, for example, 4-Iodo-1-methoxy-2-methylbenzene (cas: 75581-11-2Electric Literature of C8H9IO).

4-Iodo-1-methoxy-2-methylbenzene (cas: 75581-11-2) 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 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.Electric Literature of C8H9IO

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

The oxidation of aromatic and aliphatic oxo compounds with nitrobenzene in alkaline media was written by Kratzl, K.;Hoyos, F. E.;Silbernagel, H.. And the article was included in Monatshefte fuer Chemie in 1960.Synthetic Route of C8H8O3 This article mentions the following:

The usual oxidative degradation process in lignin chemistry to vanillin, etc. by PhNO₂ (I) was applied to model compounds Oxo compounds were oxidized to dioxo compounds which, under conditions of the benzilic acid rearrangement and eventual Cannizzaro reaction, gave hydroxy acids. Further oxidation gave oxo acids which decarboxylated to aldehydes, i.e., vanillin. PhAc derivatives maintained the C sequence as shown by labeled C atoms. Thus, 5 g. pinacolone (II), 10 g. I, and 80 ml. 2N NaOH at 165° for 3.75 hrs. gave 14% trimethyllactic acid (III). Similarly treated were (compound, temperature, time, % products given): II, 175°, 3 hrs., 49.5% III, 26% (CO₂H)₂, 0.7% of an oxo acid; cyclohexanone, 100°, 40 min., 7% 1-hydroxycyclopentanecarboxylic acid; benzylacetone, 165°, 3.5 71.8% benzyllactic acid, 4.2% of an oxo acid; phenylacetic acid, 165°, 3.75 hrs., 5.8% benzoylformic acid (IV), 7% BzOH from a second batch; PhAc, 165°, 3 hrs., 67% IV; o-hydroxyacetophenone, 165°, 3.75 hrs., 12-15% salicylic acid, 44% of an oxo acid; acetovanillone (V), 165°, 3.75 hrs., good yield of vanillin (VI); acetoveratrone, 165°, 3.5 hrs., 90% vanilloylformic acid (VII), 4.25% VI, and 0.5% vanillic acid; veratrylactone, 165°, 3.5 hrs., 3.8% veratroylformic acid, 2.5% VI, and veratraldehyde; isoeugenol, 165°, 3.5 hrs., 55% o-vanillin. V with m-O₂NC₆H₄SO₃Na gave VII. Isoacetovanillone gave 26% isovanilloylformic acid. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-5-methoxybenzaldehyde (cas: 57179-35-8Synthetic Route 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.Synthetic Route of C8H8O3

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