Month: January 2023

Soluble asphaltene oxide: a homogeneous carbocatalyst that promotes synthetic transformations was written by Jung, Hyosic;Bielawski, Christopher W.. And the article was included in RSC Advances in 2020.Computed Properties of C8H4N2O This article mentions the following:

Carbocatalysts, materials which are predominantly composed of carbon and catalyze the synthesis of organic or inorganic compounds, are promising alternatives to metal-based analogs. Even though current carbocatalysts have been successfully employed in a broad range of synthetic transformations, they suffer from a number of drawbacks in part due to their heterogeneous nature. For example, the insolubility of prototypical carbocatalysts, such as graphene oxide (GO), may restrict access to catalytically-active sites in a manner that limits performance and/or challenges optimization. Herein we describe the preparation and utilization of soluble asphaltene oxide (sAO), which is a novel material that is composed of oxidized polycyclic aromatic hydrocarbons and is soluble in a wide range of organic solvents as well as in aqueous media. sAO promotes an array of synthetically useful transformations, including esterifications, cyclizations, multicomponent reactions, and cationic polymerizations In many cases, sAO was found to exhibit higher catalytic activities than its heterogeneous analogs and was repeatedly and conveniently recycled, features that were attributed to its ability to form homogeneous phases. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Computed Properties of C8H4N2O).

3-Cyanophenylisocyanate (cas: 16413-26-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Computed Properties of C8H4N2O

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Homogeneous and heterogeneous sunflower oil methanolysis over 12-tungstophosphoric, sulfuric and boric acids was written by Idrissou, Yasmina;Mazari, Tassadit;Benadji, Siham;Hamdi, Maamar;Rabia, Cherifa. And the article was included in Reaction Kinetics, Mechanisms and Catalysis in 2016.Formula: C11H20O4 This article mentions the following:

A series of acids with different strength acidity, heteropolyacid H₃PW₁₂O₄₀ (HPW) and oxoacids, H₂SO₄ and H₃BO₃ were used as catalysts for the sunflower oil methanolysis with an oil/methanol ratio of 1/29, a reaction temperature of 60° and a reaction time of 3 h. The effect of silica support on the catalytic performance of HPW was investigated. (10-50 Wt%) HPW supported on silica were characterized by XRD, FT-IR and N₂ physisorption (BET sp. surface areas, mean pore diameters and pore volumes). The fatty acid Me esters, reaction products, were analyzed and quantified by gas chromatog. HPW and 30 wt% HPW/SiO₂ have similar catalytic behavior with a biodiesel yield of 60-63 %. Side reactions were observed at 100° in the presence of 30 wt% HPW/SiO₂ resulting in the formation of oxygenated products (alc., ketone, acid) in addition to fatty acid Me esters, as evidenced by GC-MS. A plausible mechanism of supported heteropolyacid catalyzing the sunflower oil methanolysis is proposed. In the experiment, the researchers used many compounds, for example, Diethyl isobutylmalonate (cas: 10203-58-4Formula: C11H20O4).

Diethyl isobutylmalonate (cas: 10203-58-4) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Formula: C11H20O4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chemical profiling, cytotoxic activities through apoptosis induction in MCF-7 cells and molecular docking of Phyllostachys heterocycla bark nonpolar extract was written by Abdelhameed, Reda F. A.;Habib, Eman S.;Ibrahim, Ahmed K.;Yamada, Koji;Abdel-Kader, Maged S.;Ibrahim, Amany K.;Ahmed, Safwat A.;Badr, Jihan M.;Nafie, Mohamed S.. And the article was included in Journal of Biomolecular Structure and Dynamics.Computed Properties of C12H22O4 This article mentions the following:

The chem. constituents of the nonpolar fractions of the bamboo shoot skin Phyllostachys heterocycla were extensively studied. The phytochem. study was divided into two parts: the first deals with isolation of the chem. constituents using different chromatog. techniques that resulted in isolation of four compounds The chem. structures of the pure isolated compounds were elucidated using different spectroscopic data. The second part deals with identification of the rest of the constituents using the GC technique. Addnl., both crude extract and the pure isolated compounds were investigated for cytotoxic activity. One of the isolated compounds; namely glyceryl 1-monopalmitate showed highly promising effect against the MCF-7 cells with (IC₅₀ = 19.78 μM) compared to 5-FU (26.98 μM), and it remarkably stimulated apoptotic breast cancer cell death with 31.6-fold (16.13% compared to 0.51 for the control) at pre-G1 and G2/M-phase cell cycle arrest and blocked the progression of MCF-7 cells. Moreover, the identified compounds especially were found to have high binding affinity towards both TPK and VEGFR-2 through the mol. docking studies which highlight its mode of action. HighlightsChem. profiling of Phyllostachys heterocycla bark nonpolar extract was fully identified. Glyceryl 1-monopalmitate showed highly promising effect against the MCF-7 cells with (IC₅₀ = 19.78 μM) compared to 5-FU (26.98 μM). Glyceryl 1-monopalmitate significantly stimulated apoptotic breast cancer cell death with 31.6-fold by arresting cell cycle at G2/M and preG1 phases. Mol. docking simulation showed good binding affinities towards TPK and VEGFR-2 proteins. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Computed Properties of C12H22O4).

Dimethyl decanedioate (cas: 106-79-6) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Computed Properties of C12H22O4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Investigations on the impact of the special flavor hop variety Huell Melon on the odor-active compounds in late hopped and dry hopped beers was written by Neiens, Silva D.;Steinhaus, Martin. And the article was included in Journal of Agricultural and Food Chemistry in 2019.Category: esters-buliding-blocks This article mentions the following:

Bottom-fermented and top-fermented beers, both either late or dry hopped with Huell Melon hops, and resp. reference beers without late or dry hopping were subjected to a comparative odorant screening by aroma extract dilution analyses. On the basis of differences in the FD factors, 14 odorants were identified as hop-derived. Among them were Et 2-methylpropanoate, Me 2-methylbutanoate, Et 2-methylbutanoate, Pr 2-methylbutanoate, myrcene, linalool, and geraniol. Differences between late hopped, dry hopped, and reference beers were substantiated by quantitation. Results showed minimal transfer of myrcene from hops into beer. Moderate transfer was observed for Pr 2-methylbutanoate, geraniol, and linalool. Process-induced changes of Et 2-methylpropanoate, Et 2-methylbutanoate, and Me 2-methylbutanoate were beyond a direct transfer from hops into beer, suggesting a formation from the corresponding hop-derived carboxylic acids by yeast. Spiking experiments revealed that linalool and Pr 2-methylbutanoate contributed particularly to the characteristic aroma of beers flavored with Huell Melon hops. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Category: esters-buliding-blocks).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Formulation process, physical stability and herbicidal activities of Cymbopogon nardus essential oil-based nanoemulsion was written by Somala, Naphat;Laosinwattana, Chamroon;Teerarak, Montinee. And the article was included in Scientific Reports in 2022.Computed Properties of C12H20O2 This article mentions the following:

Essential oil-based bioherbicides are a promising avenue for the development of eco-friendly pesticides. This study formulated nanoemulsions containing citronella (Cymbopogon nardus) essential oil (CEO) as an herbicidal product using a high-pressure homogenization method with hydrophilic-lipophilic balance (HLB) values ranging 9-14.9 for the surfactant mixture (Tween 60 and Span 60). The CEO was high in monoterpene compounds (36.333% geraniol, 17.881% trans-citral, 15.276% cis-citral, 8.991% citronellal, and 4.991% β-citronellol). The nanoemulsion at HLB 14 was selected as optimal due to having the smallest particle size (79 nm, PI 0.286), confirmed by transmission electron microscopy. After 28 days of storage, particle size in the selected formulation changed to 58 and 140 nm under 4°C and 25°C, resp. Germination and seedling growth assays with Echinochloa crus-galli showed that the nanoemulsion exerted a significant dose-dependent inhibitory effect at all tested HLBs (9-14.9) and concentrations (100-800μL/L). The inhibitory effect was greatest at HLB 14. Treatment of E. cruss-galli seed with the HLB 14 nanoemulsion significantly reduced seed imbibition and α-amylase activity. Our findings support that CEO nanoemulsions have a phytotoxic effect and hence herbicidal properties for controlling E. cruss-galli. Accordingly, this nanoemulsion may have potential as a bioherbicide resource. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Computed Properties of C12H20O2).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Computed Properties of C12H20O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Changes in volatile compound profiles of cold-pressed berry seed oils induced by roasting was written by Mildner-Szkudlarz, Sylwia;Rozanska, Maria;Gaca, Anna;Jelen, Henryk H.. And the article was included in LWT–Food Science and Technology in 2021.Quality Control of 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

This study aimed to compare the volatile compounds of cold-pressed oils obtained from unroasted and roasted chokeberry, raspberry, blackcurrant, and strawberry seeds using comprehensive gas chromatog.-mass spectrometry coupled to time of flight mass spectrometry (GC x GC-ToFMS). It is found that the seed type used and chem. composition affected the final aroma of berry oils. The volatile profiles of all berry oils from both unroasted and roasted seeds were dominated by nonheterocyclic chem. class (89% of the total volatiles) with esters predominant (32% of total nonheterocyclic compounds). Unroasted raspberry and blackcurrant cold-pressed seed oils had a less complex volatile profile, and showed similarities between them and differences to chokeberry and strawberry seed oils. Chokeberry seed oil was characterized by the highest levels in Et propanoate, methylbutyl acetate, benzaldehyde, (E,E)-2,4-decadienal, acetoin, 3-penten-2-one, benzyl alc. and strawberry seed oil by Me acetate, iso-Bu acetate, Me 2-methylbutanoate, Et 2-hydroxypropanoate, Et 2-methylbutanoate, Et 3-methylbutanoate, (E,E)-2,4-heptadienal, 1-penten-3-one, and 3,7-dimethyl-1,6-octadien-3-ol. N-containing and furanic-containing compounds contributed about 5% and 4%-16%, resp., of total amount of volatiles after seed roasting. Roasting was critical for increasing the concentration of compounds derived from lipid peroxidation, especially in blackcurrant seed oils. Profiling volatiles using SPME-GC x GC-ToFMS might be helpful in evaluating oils quality. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Quality Control of 5-Ethyldihydrofuran-2(3H)-one).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Quality Control of 5-Ethyldihydrofuran-2(3H)-one

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Copper nanoparticles on controlled pore glass (CPG) as highly efficient heterogeneous catalysts for “click reactions” was written by Rafi, Abdolrahim A.;Ibrahem, Ismail;Cordova, Armando. And the article was included in Scientific Reports in 2020.Safety of (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate This article mentions the following:

Herein, the supported copper nanoparticles (CuNPs) on com. available controlled pore glass (CPG), which exhibit high mech., thermal and chem. stability as compared to other silica-based materials, serve as a useful heterogeneous catalyst system for 1,3-dipolar cycloadditions (“click” reactions) between organic azides RCH₂N₃ (R = Ph, pentadecyl, (5S)-1-[methoxycarbonyl]-5-[(tert-butoxy)carbonyl]pyrrolidin-3-yl) and terminal alkynes HCCR¹ (R¹ = hydroxymethyl, 4-methoxyphenoxymethyl, ([(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy)methyl, etc.) under green chem. conditions. The supported CuNPs-CPG catalyst exhibited a broad substrate scope and gave the corresponding triazole products I in high yields. The CuNPs-CPG catalyst exhibit recyclability and could be reduced multiple times without contaminating the products with Cu. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Safety of (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Safety of (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics