Author: Jessica.F

Two-bond ¹³C-¹³C spin-coupling constants in saccharides: dependencies on exocyclic hydroxyl group conformation was written by Lin, Jieye;Meredith, Reagan J.;Oliver, Allen G.;Carmichael, Ian;Serianni, Anthony S.. And the article was included in Physical Chemistry Chemical Physics in 2021.COA of Formula: C16H22O11 This article mentions the following:

Seven doubly ¹³C-labeled isotopomers of Me β-D-glucopyranoside, Me β-D-xylopyranoside, Me β-D-galactopyranoside, Me β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside and Me β-D-galactopyranosyl-(1→4)-β-D-xylopyranoside were prepared, crystallized, and studied by single-crystal X-ray crystallog. and solid-state ¹³C NMR spectroscopy to determine exptl. the dependence of ²J_C1,C3 values in aldopyranosyl rings on the C1-C2-O2-H torsion angle, θ₂, involving the C2 carbon of the C1-C2-C3 coupling pathway. Using X-ray crystal structures to determine θ₂ in crystalline samples and by selecting compounds that exhibit a relatively wide range of θ₂ values in the crystalline state, ²J_C1,C3 values measured in crystalline samples were plotted against θ₂ and the resulting plot compared to that obtained from d. functional theory (DFT) calculations For θ₂ values ranging from ~90° to ~240°, very good agreement was observed between the exptl. and theor. plots, providing strong validation of DFT-calculated spin-coupling dependencies on exocyclic C-O bond conformation involving the central carbon of geminal C-C-C coupling pathways. These findings provide new exptl. evidence supporting the use of ²J_CCC values as non-conventional spin-coupling constraints in MA’AT conformational modeling of saccharides in solution, and the use of NMR spin-couplings not involving coupled hydroxyl hydrogens as indirect probes of C-O bond conformation. Solvomorphism was observed in crystalline βGal-(1→4)-βGlcOCH₃ wherein the previously-reported methanol solvate form was found to spontaneously convert to a monohydrate upon air-drying, leading to small but discernible conformational changes in, and a new crystalline form of, this disaccharide. 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: 4163-60-4COA of Formula: C16H22O11).

(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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.COA of Formula: C16H22O11

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Ester – Wikipedia,
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Simplification of the tetracyclic SIRT1-selective inhibitor MC2141: Coumarin- and pyrimidine-based SIRT1/2 inhibitors with different selectivity profile was written by Rotili, Dante;Carafa, Vincenzo;Tarantino, Domenico;Botta, Giorgia;Nebbioso, Angela;Altucci, Lucia;Mai, Antonello. And the article was included in Bioorganic & Medicinal Chemistry in 2011.COA of Formula: C9H10O3S This article mentions the following:

In this report we describe the synthesis and biol. characterization of two series of sirtuins’ inhibitors (SIRTi), designed as simplification products of the previously reported SIRT1-selective inhibitor MC2141 (4). In the first series (5a-t) we report a number of 2-substituted-1,2-dihydrobenzo[f]chromen-3-ones with a marked selectivity for the inhibition of SIRT2 over SIRT1. Some of such derivatives showed also high pro-apoptotic (5i and 5l) and/or cytodifferentiating (5d, 5i, and 5o) properties in a human leukemia cell line (U937). The second group of SIRTi (6a-q) is characterized by some analogs of cambinol (3), a well known SIRTi active against the Burkitt lymphoma. Such compounds, differently from the unselective prototype, are endowed with a selective inhibition of SIRT1 over SIRT2, and, in some cases (6j, 6k, and 6q), are more efficient than 3 to induce apoptosis in U937 cells. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8COA of Formula: C9H10O3S).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.COA of Formula: C9H10O3S

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

A Rhodium(I)-Catalyzed Formal Allenic Alder Ene Reaction for the Rapid and Stereoselective Assembly of Cross-Conjugated Trienes was written by Brummond, Kay M.;Chen, Hongfeng;Sill, Peter;You, Lingfeng. And the article was included in Journal of the American Chemical Society in 2002.Formula: C10H14O4 This article mentions the following:

A rhodium(I)catalyzed allenic Alder ene reaction to prepare cross-conjugated trienes, e.g., I, has been discovered. The scope and limitations are currently being investigated, and the results obtained to date are given. This method shows enticing functional group compatibility by tolerating terminal and internal alkynes, hydroxy, sulfonamide, ether, and diester groups. Progress has been made to increase the stereoselectivity of the olefinic side chain via an unprecedented iridium(I) catalyzed Alder-ene reaction. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Formula: C10H14O4).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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. Polyesters are important plastics, with monomers linked by ester moieties. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Formula: C10H14O4

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

A novel method for the facile synthesis of depsipeptides was written by Gilon, Chaim;Klausner, Yakir;Hassner, Alfred. And the article was included in Tetrahedron Letters in 1979.Recommanded Product: 19444-23-6 This article mentions the following:

Depsipeptides were prepared in 90-8% yields by a one pot synthesis involving condensation reaction of N–tert-butoxycarbonyl (BOC) amino acids with benzyl α-hydroxyalkanoates mediated by dicyclohexylcarbodiimide in the presence of 4-(dimethylamino)- or 4-pyrrolidinopyridine in CH₂Cl₂ at 25°. Thus, BOC-D-Val-Hib-OCH₂Ph (Hib = α-hydroxyisobutyric acid residue) was prepared in 95% yield from BOC-D-Val-OH and H-Hib-OCH₂Ph. In the experiment, the researchers used many compounds, for example, Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6Recommanded Product: 19444-23-6).

Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6) 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. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Recommanded Product: 19444-23-6

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

Self-assembly behavior of amphiphilic diblock copolymer PS-b-P4VP in CO₂-expanded liquids was written by Cheng, Xiaomeng;Jiao, Dongxia;Liang, Zhihao;Wei, Jinjin;Li, Hongping;Yang, Junjiao. And the article was included in Wuli Huaxue Xuebao in 2018.Application In Synthesis of Benzyl benzodithioate This article mentions the following:

The self-assembly behavior of block copolymers and their assembled micellar morphologies have attracted considerable attention because of their potential applications in biomedicine, drug delivery, and catalysis. Herein we report that CO₂-expanded liquids (CXLs) facilitate the morphol. control of the self-assembled aggregates (SAAs) of polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP) formed in CO₂-expanded toluene. The anti-solvent effect of CXLs can successfully regulate the self-assembly behavior of the copolymer PS-b-P4VP. The difference in amphiphilicity between PS and P4VP block is reduced with increasing pressure of CO₂-expanded toluene owing to the anti-solvent effect of CO₂. In addition, this diminished difference may influence the interfacial tension at the P4VP core-PS corona interface, which triggers a morphol. change of the aggregate. The SAA structures are dependent on both CXL pressure and copolymer composition under the exptl. conditions implemented in this work. The morphol. evolution of the SAAs in CXLs exhibits remarkable pressure dependence. As the pressure increases, the SAA structure of PS₁₆₈-b-P4VP₄₂₀ transits from primarily spheres (0.1 MPa) to mostly interconnected rods (6.35 MPa), the SAA of PS₇₉₀-b-P4VP₂₆₃ evolves from small vesicles (0.1 MPa) to large compound vesicles (LCVs, 6.35 MPa), whereas the PS₁₅₃-b-P4VP₁₅₃₀ counterpart switches from large compound micelles (LCMs, 0.1 MPa) to mainly large compound vesicles (LCVs, 6.35 MPa). Moreover, transmission electron microscopy (TEM) data on constant copolymer composition implies that the packing parameter p of the SAAs increases with the CXLs pressure. Especially, under the exptl. conditions employed in this work, we find that the major factor controlling the SAA shape in conventional toluene is the copolymer composition, while in CO₂-expanded toluene, the dominant factor controlling the SAA morphol. might be the varying contact area between shell-forming segment PS and the CXLs with increasing pressure. This work proves that the CXL method facilitates the modulation of morphol. of the SAAs, and opens a green route for the development of new nano-functional materials. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Application In Synthesis of Benzyl benzodithioate).

Benzyl benzodithioate (cas: 27249-90-7) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Application In Synthesis of Benzyl benzodithioate

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

Variability within the cultivar “Gruener Veltliner” was written by Regner, F.;Hack, R.;Hanak, K.;Santiago, J. L.. And the article was included in Acta Horticulturae in 2009.Safety of Ethyl 2-hydroxy-3-phenylpropanoate This article mentions the following:

“Gruener Veltliner” is the main cultivar in Austrian viticulture. About 30% of the national production is derived from this grapevine. Recently, in some wine districts, “Gruener Veltliner” has been used for producing monovarietal wines with controlled origin (Districtus Austriae Controllatus, DAC). In order to reach a typical sensorial profile of the wine, linked to the cultivar from which the wine is derived, two of the most decisive steps are to improve the homogeneity of the material and to use the recommend clones. Therefore, we analyzed clones and types of “Gruener Veltliner” according to their sensorial behavior, their differences in aroma compounds, and their genetic profiles. Sensorial description was done by a panel test. The desired prototype is a spicy and peppery wine with stone-fruit aroma. The aromatic compounds that differentiated the clones were mostly found in acids, phenolics, and sulfur related compounds The genetic differences of the clones were investigated using 270 SSR markers. Based on these data, the relationship between the types was calculated and their differences were demonstrated. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Safety of Ethyl 2-hydroxy-3-phenylpropanoate).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Safety of Ethyl 2-hydroxy-3-phenylpropanoate

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

Hypoxia-activated, small-molecule-induced gene expression was written by Collins, Sarah L.;Saha, Jaideep;Bouchez, Laure C.;Hammond, Ester M.;Conway, Stuart J.. And the article was included in ACS Chemical Biology in 2018.COA of Formula: C16H22O11 This article mentions the following:

Hypoxia, a condition of reduced oxygen, occurs in a wide variety of biol. contexts, including solid tumors and bacterial biofilms, which are relevant to human health. Consequently, the development of chem. tools to study hypoxia is vital. Here we report a hypoxia-activated, small-mol.-mediated gene expression system using a bioreductive prodrug of the inducer iso-Pr 1-thio-β-D-galactopyranoside. As a proof-of-concept we have placed the production of a green fluorescent protein under the control of hypoxia. Our system has the potential to be extended to regulate the production of any given protein of choice. 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: 4163-60-4COA of Formula: C16H22O11).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. Polyesters are important plastics, with monomers linked by ester moieties. 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. COA of Formula: C16H22O11

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

Source profiles and emission factors of VOCs from solvent-based architectural coatings and their contributions to ozone and secondary organic aerosol formation in China was written by Gao, Meiping;Teng, Wei;Du, Zhenxia;Nie, Lei;An, Xiaoshuan;Liu, Wenwen;Sun, Xuechun;Shen, Zhengchao;Shi, Aijun. And the article was included in Chemosphere in 2021.Recommanded Product: Methyl2-methylbutyrate This article mentions the following:

Volatile organic compounds (VOCs) from solvent-based architectural coatings (SBACs) play an important role in photochem. air pollution with increasing consumption of architectural coatings in China. In this study, we collected 148 typical SBACs of 3 types in China. The TVOC emission factors and source profiles were established, the contributions of SBACs to ozone and secondary organic aerosol (SOA) formation were investigated. The VOC emissions and O₃ and SOA amounts formed in chem. reactions from SBACs in 2017 were estimated Key organic groups and VOC species with high reactivity were identified. According to the results, the TVOC emission factors were 507.17 g L^-1 for solvent-based anticorrosive coatings, 381.34 g L^-1 for solvent-based floor coatings and 459.68 g L^-1 for solvent-based fire-retardant coatings. The VOC emissions were 186,902.11 t, 88,225.41 t and 71,352.32 t; the O₃ amounts formed were 742,001.39 t, 397,896.60 t and 244,738.46 t; the SOA amounts formed were 3934.29 t, 2488.04 t and 1104.61 t, resp., from 3 types of SBACs in 2017. The O₃ production factors were 1781.82 g O₃ (kg paint)^-1, 1457.50 g O₃ (kg paint)^-1 and 1176.63 g O₃ (kg paint)^-1, the SOA production factors were 9.45 g SOA (kg paint)^-1, 9.11 g SOA (kg paint)^-1 and 5.31 g SOA (kg paint)^-1, for 3 types of SBACs. Priority should be given to organic group of aromatics and top 17 VOC species with high reactivity for O₃ and SOA eliminating strategies, especially three xylenes (o-xylene, m-xylene and p-xylene), ethylbenzene, tri-Me benzenes (1,3,5-tri-Me benzene, 1,2,3-Tri-Me benzene) and toluene. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Recommanded Product: Methyl2-methylbutyrate).

Methyl2-methylbutyrate (cas: 868-57-5) 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. 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.Recommanded Product: Methyl2-methylbutyrate

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

Synthesis of physostigmine analogues and evaluation of their anticholinesterase activities was written by Zhan, Zha-Jun;Bian, Hong-Ling;Wang, Jian-Wei;Shan, Wei-Guang. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2010.Product Details of 16413-26-6 This article mentions the following:

A series of physostigmine analogs I (R = Ph, 3-ClC₆H₄, 1-naphthyl, cyclohexyl, etc.) were prepared and evaluated for cholinesterase inhibition activities, including acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Most of them showed potent inhibition activities against AChE, in which compound I (R = cyclohexyl) especially exhibited significantly higher selectivity over BChE than phenserine, a compound currently on clin. trial. Discussion about the relationships between structure and activity of these derivatives was also presented. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Product Details of 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Product Details of 16413-26-6

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

Effect of non-wine Saccharomyces yeasts and bottle aging on the release and generation of aromas in semi-synthetic Tempranillo wines was written by Perez, Dolores;Denat, Marie;Heras, Jose Maria;Guillamon, Jose Manuel;Ferreira, Vicente;Querol, Amparo. And the article was included in International Journal of Food Microbiology in 2022.Synthetic Route of C10H18O2 This article mentions the following:

Interest in the use of non-conventional yeasts in wine fermentation has been increased in the last years in the wine sector. The main objective of this manuscript was to explore the aromatic diversity produced by wild and non-wine strains of S. cerevisiae, S. eubayanus, S. kudriavzevii, and S. uvarum species in young and bottle-aged Tempranillo wines as well as evaluate their fermentation capacity and the yield on ethanol, glycerol, and organic acids, that can contribute to diminishing the effects of climate change on wines. S. uvarum strain U1 showed the highest ability to release or de novo produce monoterpenes, such as geraniol and citronellol, whose values were 1.5 and 3.5-fold higher than those of the wine S. cerevisiae strain. We found that compared to the normal values for red wines, β-phenylethyl acetate was highly synthesized by U1 and E1 strains, achieving 1 mg/L. Addnl., after aging, wines of S. eubayanus strains contained the highest levels of this acetate. Malic acid was highly degraded by S. kudriavzevii yeasts, resulting in the highest yields of lactic acid (>5-fold) and Et lactate (>2.8-fold) in their wines. In aged wines, we observed that the modulating effects of yeast strain were very high in β-ionone. S. uvarum strains U1 and BMV58 produced an important aging attribute, Et isobutyrate, which was highly enhanced during the aging. Also, the agave S. cerevisiae strain develops an essential aroma after aging, reaching the highest Et leucate contents. According to the results obtained, the use of wild non-wine strains of S. cerevisiae and strains of the cryotolerant species S. eubayanus, S. kudriavzevii, and S. uvarum in Tempranillo wine fermentation increase the aroma complexity. In addition, wines from S. kudriavzevii strains had twice addnl. glycerol, those from S. uvarum 4-fold more succinic acid, while wines from wild strains yielded 1% volume/volume less ethanol which may solve wine problems associated with climate change. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Synthetic Route of C10H18O2).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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.Synthetic Route of C10H18O2

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