Tag: 100-200

Modeling hydrogen solubility in alcohols using machine learning models and equations of state was written by Mohammadi, Mohammad-Reza;Hadavimoghaddam, Fahimeh;Atashrouz, Saeid;Abedi, Ali;Hemmati-Sarapardeh, Abdolhossein;Mohaddespour, Ahmad. And the article was included in Journal of Molecular Liquids in 2022.HPLC of Formula: 111-77-3 This article mentions the following:

Knowledge of hydrogen (H₂) solubility in alcs. is important for designing and performing various processes in chem. plants. Accurate predictions of H₂ solubility in alcs. can affect the quality and applications of pharmaceuticals, perfume, cosmetics, flavor, and many others. In this work, deep echo state network (DeepESN), extreme gradient boosting (XGBoost), extreme learning machine (ELM), and multivariate adaptive regression splines (MARS) as four advanced machine learning models were utilized for predicting the H₂ solubility in alcs. To this end, a complete set of H₂ solubility data (673 exptl. data points) for 26 different alcs. or alc.-containing solvents is gathered over a wide range of operating pressure (0.101-110.3 MPa) and temperature (213.15-524.9 K). The XGBoost model was obtained as the best model for estimation H₂ solubility in alcs. based on graphical and statistical analyses having a root mean square error of 0.0022 and coefficient of determination of 0.9946. Four well-known equations of state (EOSs) were also utilized to estimate H₂ solubility in alcs., among which Redlich-Kwong EOS had the best performance. However, the accuracy of machine learning models was much higher than the EOSs. Based on sensitivity anal., pressure, temperature, and mol. weight of alcs. have the highest impact on the solubility of H₂ in alcs., resp. Eventually, the Leverage approach was utilized to recognize the applicability domain of the XGBoost model and probable outlier data, the results of which show that this model has high credit for estimating the solubility of H2 in alcs. The outcome of this study can help to design the hydrogenation process in chem. plants, and the XGBoost model can act as an efficient predictor for predicting H2 solubility in alcs. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3HPLC of Formula: 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. 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.HPLC of Formula: 111-77-3

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

Two-step synthesis of 2-(9-hydroxynonyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone was written by Wang, Jin;Hu, Xiao;Yang, Jian. And the article was included in Synthesis in 2014.SDS of cas: 605-94-7 This article mentions the following:

2-(9-Hydroxynonyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone was readily synthesized from com. available 3,4,5-trimethoxytoluene in two steps. First, 2,3-dimethoxy-5-methyl-1,4-benzoquinone (coenzyme Q₀) was obtained in one step by treatment of 3,4,5-trimethoxytoluene with hydrogen peroxide under metal-free conditions, followed by free-radical alkylation with 10-hydroxydecanoic acid in the presence of potassium peroxodisulfate and silver nitrate in a mixed solvent (MeCN-H₂O, 1:1) to afford the title compound in good yields (60%, based on coenzyme Q₀). In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7SDS of cas: 605-94-7).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) 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. 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.SDS of cas: 605-94-7

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

Potato tuber cytokinin oxidase/dehydrogenase genes: Biochemical properties, activity, and expression during tuber dormancy progression was written by Suttle, Jeffrey C.;Huckle, Linda L.;Lu, Shunwen;Knauber, Donna C.. And the article was included in Journal of Plant Physiology in 2014.Recommanded Product: 605-94-7 This article mentions the following:

The enzymic and biochem. properties of the proteins encoded by five potato cytokinin oxidase/dehydrogenase (CKX)-like genes functionally expressed in yeast and the effects of tuber dormancy progression on StCKX expression and cytokinin metabolism were examined in lateral buds isolated from field-grown tubers. All five putative StCKX genes encoded proteins with in vitro CKX activity. All five enzymes were maximally active at neutral to slightly alk. pH with 2,6-dichloro-indophenol as the electron acceptor. In silico analyses indicated that four proteins were likely secreted. Substrate dependence of two of the most active enzymes varied; one exhibiting greater activity with isopentenyl-type cytokinins while the other was maximally active with cis-zeatin as a substrate. [³H]-isopentenyl-adenosine was readily metabolized by excised tuber buds to adenine/adenosine demonstrating that CKX was active in planta. There was no change in apparent in planta CKX activity during either natural or chem. forced dormancy progression. Similarly although expression of individual StCKX genes varied modestly during tuber dormancy, there was no clear correlation between StCKX gene expression and tuber dormancy status. Thus although CKX gene expression and enzyme activity are present in potato tuber buds throughout dormancy, they do not appear to play a significant role in the regulation of cytokinin content during tuber dormancy progression. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Recommanded Product: 605-94-7).

2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) 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).Recommanded Product: 605-94-7

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

Photosynthetic Bioelectronic Sensors for Touch Perception, UV-Detection, and Nanopower Generation: Toward Self-Powered E-Skins was written by Ravi, Sai Kishore;Wu, Tingfeng;Udayagiri, Vishnu Saran;Vu, Xuan Minh;Wang, Yanan;Jones, Michael R.;Tan, Swee Ching. And the article was included in Advanced Materials (Weinheim, Germany) in 2018.Synthetic Route of C9H10O4 This article mentions the following:

Energy self-sufficiency is an inspirational design feature of biol. systems that fulfills sensory functions. Plants such as the “touch-me-not” and “Venus flytrap” not only sustain life by photosynthesis, but also execute specialized sensory responses to touch. Photosynthesis enables these organisms to sustainably harvest and expend energy, powering their sensory abilities. Photosynthesis therefore provides a promising model for self-powered sensory devices like electronic skins (e-skins). While the natural sensory abilities of human skin have been emulated in man-made materials for advanced prosthetics and soft-robotics, no previous e-skin has incorporated phototransduction and photosensory functions that could extend the sensory abilities of human skin. A proof-of-concept bioelectronic device integrated with natural photosynthetic pigment-proteins is presented that shows the ability to sense not only touch stimuli (down to 3000 Pa), but also low-intensity UV radiation (down to 0.01 mW cm^-2) and generate an elec. power of ≈260 nW cm^-2. The scalability of this device is demonstrated through the fabrication of flexible, multipixel, bioelectronic sensors capable of touch registration and tracking. The polysensory abilities, energy self-sufficiency, and addnl. nanopower generation exhibited by this bioelectronic system make it particularly promising for applications like smart e-skins and wearable sensors, where the photogenerated power can enable remote data transmission. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Synthetic Route of C9H10O4).

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. 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.Synthetic Route of C9H10O4

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

Metal-free reduction of unsaturated carbonyls, quinones, and pyridinium salts with tetrahydroxydiboron/water was written by Peng, Henian;Li, Tiejun;Tian, Duanshuai;Yang, He;Xu, Guangqing;Tang, Wenjun. And the article was included in Organic & Biomolecular Chemistry in 2021.HPLC of Formula: 605-94-7 This article mentions the following:

A series of unsaturated carbonyls, quinones and pyridinium salts were effectively reduced to the corresponding saturated carbonyls, dihydroxybenzenes and di- and tetrahydropyridines in moderate to high yields with tetrahydroxydiboron/water as a mild, convenient and metal-free reduction system. Deuterium-labeling experiments revealed this protocol to be an exclusive transfer hydrogenation process from water. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7HPLC of Formula: 605-94-7).

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. 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).HPLC of Formula: 605-94-7

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

Synthesis and antiviral activity of lycorine derivatives was written by Yang, Ya-Jun;Liu, Jiang-Ning;Pan, Xian-Dao. And the article was included in Journal of Asian Natural Products Research in 2020.COA of Formula: C9H10O4 This article mentions the following:

There are no effective antiviral drugs to treat hand, foot, and mouth disease. In this study, a series of lycorine derivatives were synthesized and evaluated against enterovirus 71 and coxsackievirus A16 in vitro. Derivatives with the phenoxyacyl group at the C-1 position showed higher efficacy and lower toxicity than lycorine. In addition, derivative enhanced the survival rate to 40% in the mouse model of the lethal EV71 infection. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4COA of Formula: C9H10O4).

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.COA of Formula: C9H10O4

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

Copper-Catalyzed Regioselective Olefination and Trifluoromethylation of Carboxylic Acids To Give (Z)-Trifluoromethyl Enol Esters was written by Lu, Dong;Li, Shuangshuang;Yang, Xiaogang;Yin, Shuang-Feng;Kambe, Nobuaki;Qiu, Renhua. And the article was included in Organic Letters in 2022.Electric Literature of C9H10O4 This article mentions the following:

A method to produce (Z)-trifluoromethyl enol esters via the olefination and trifluoromethylation of carboxylic acids with TMSCF₃ was reported. This synthetic method used inexpensive and easy-to-handle TMSCF₃. It employed a com. available CuCl catalyst to transform a broad range of carboxylic acids into versatile (Z)-trifluoromethyl enol esters with good regio- and stereoselectivity. This protocol allowed the concise synthesis of highly functionalized (Z)-trifluoromethyl enol esters directly from carboxylic acids. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4Electric Literature of C9H10O4).

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.Electric Literature of C9H10O4

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

Rapid epoxy cure and transamination behavior in vinylogous urethane epoxy using glyme-metal ions was written by Shin, Jaeho;Yi, Mobeom;Kim, Hyunjoong. And the article was included in Koen Yoshishu – Nippon Setchaku Gakkai Nenji Taikai in 2021.Electric Literature of C8H18O4 This article mentions the following:

Here we fabricated three different types of ILs containing lithium or zinc ligand with glyme mol. The unique functions of ionic liquids to intervene oxirane and carbonyl oxygen made the metal-glyme mixture a potential latent cure accelerator in epoxy cure reaction and a catalyst of transamination reaction at the same time. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Electric Literature of C8H18O4).

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. 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).Electric Literature of C8H18O4

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

Efficient Synthesis of Imines by Oxidative Coupling Catalyzed by Ce-Mn Oxide Microspheres was written by Chutimasakul, Threeraphat;Tirdtrakool, Warinda;Na Nakhonpanom, Pakamon;Kreethatorn, Hemmarat;Jaruwatee, Pattamaporn;Bunchuay, Thanthapatra;Tantirungrotechai, Jonggol. And the article was included in ChemistrySelect in 2022.Safety of (4-Methoxyphenyl)methanol This article mentions the following:

Oxidative self-coupling of amines and cross-coupling with alcs. are important reactions for the synthesis of imines; however, catalytic systems for these reactions usually require expensive oxidant, complicated catalyst preparation, complex reaction set-up, and/or additives such as bases or cocatalysts. Here, authors report that amorphous cerium-manganese (Ce-Mn) oxides with hierarchical microsphere structure prepared by a facile method could exhibit excellent catalytic performance for the synthesis of various imines using air as the green oxidant under mild conditions. The Ce-Mn oxide heterogeneous catalysts could also be easily recovered and efficiently recycled without significant loss of activities. The excellent activities and the reusability of the Ce-Mn oxide microspheres offer potential advances in the synthesis of imine. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Safety of (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 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.Safety of (4-Methoxyphenyl)methanol

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

Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening was written by Lee, Esther C. Y.;McRiner, Andrew J.;Georgiadis, Katy E.;Liu, Julie;Wang, Zooey;Ferguson, Andrew D.;Levin, Benjamin;von Rechenberg, Moritz;Hupp, Christopher D.;Monteiro, Michael I.;Keefe, Anthony D.;Olszewski, Allison;Eyermann, Charles J.;Centrella, Paolo;Liu, Yanbin;Arora, Shilpi;Cuozzo, John W.;Zhang, Ying;Clark, Matthew A.;Huguet, Christelle;Kohlmann, Anna. And the article was included in Journal of Medicinal Chemistry in 2021.Category: ethers-buliding-blocks This article mentions the following:

Inhibition of hydroxy acid oxidase 1 (HAO1) is a strategy to mitigate the accumulation of toxic oxalate that results from reduced activity of alanine-glyoxylate aminotransferase (AGXT) in primary hyperoxaluria 1 (PH1) patients. DNA-Encoded Chem. Library (DECL) screening provided two novel chem. series of potent HAO1 inhibitors, represented by compounds 3-6. Compound I was further optimized via various structure-activity relationship (SAR) exploration methods to II, a compound with improved potency and absorption, distribution, metabolism, and excretion (ADME)/pharmacokinetic (PK) properties. Since carboxylic acid-containing compounds are often poorly permeable and have potential active glucuronide metabolites, we undertook a brief, initial exploration of acid replacements with the aim of identifying non-acid-containing HAO1 inhibitors. Structure-based drug design initiated with Compound I led to the identification of a nonacid inhibitor of HAO1, III, which has weaker potency and increased permeability. In the experiment, the researchers used many compounds, for example, 3-Formyl-2-methoxyphenylboronic acid (cas: 480424-49-5Category: ethers-buliding-blocks).

3-Formyl-2-methoxyphenylboronic acid (cas: 480424-49-5) 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. 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