Category: esters-buliding-blocks

Identification, quantitation and sensorial contribution of lactones in brandies between China and France was written by Li, Yuanyi;Li, Qianqian;Zhang, Baochun;Shen, Chunhua;Xu, Yan;Tang, Ke. And the article was included in Food Chemistry in 2021.Category: esters-buliding-blocks This article mentions the following:

Lactones are important flavor compounds in lots of foodstuffs. They also play an important role in brandy, but have not been studied at large. In this study, solid-phase extraction (SPE) and stir bar sorptive extraction (SBSE) combined with comprehensive two-dimensional gas chromatog. and time-of-flight mass spectrometry (GC x GC-TOFMS) were applied to identify and quantify lactones in brandies between China and France. Totally 17 lactones were identified, four of which were detected only in SBSE. Among them, γ-valerolactone, γ-heptalactone, δ-octalactone, γ-undecanolactone and δ-dodecalactone were detected in brandy for the first time. The results of partial least squares-discriminant anal. (PLS-DA) revealed that lactones distinguished regional characteristics among different brandies. The omission test showed that four lactones (OAV > 1) had direct impact on the aroma of brandy, and other seven lactones at sub-threshold (0.1 < OAV < 1) provided peach and apricot aroma characteristics through synergistic effects. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Category: esters-buliding-blocks).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Category: esters-buliding-blocks

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

Unexpected synthesis, single-crystal x-ray structure, anticancer activity, and molecular docking studies of certain 2-((imidazole/benzimidazol-2-yl)thio)-1-arylethanones was written by Al-Warhi, Tarfah;Said, Mohamed A.;Hassab, Mahmoud A. El;Aljaeed, Nada;Ghabour, Hazem A.;Almahli, Hadia;Eldehna, Wagdy M.;Abdel-Aziz, Hatem A.. And the article was included in Crystals in 2020.Category: esters-buliding-blocks This article mentions the following:

Herein a new unexpected synthetic route to obtain a series of 2-((imidazole/benzimidazol-2-yl)thio)1-arylethanones I (R = R¹ = H, (CH)₄; Ar = C₆H₅, 4-MeOC₆H₄, thien-2-yl)endowed with promising anti-breast cancer and Cyclin-dependent kinase 2 (CDK2) inhibitory activities is described. Contrary to expectations, products for the reaction of 2-mercaptoimidazole/benzimidazole with β-keto esters II were unambiguously assigned as I based on NMR spectroscopy and single-crystal X-ray crystallog. analyses. In vitro anticancer activities of I were assessed through a cell-based assay against human breast cancer T4-7D and MCF-7 cell lines. Benzimidazoles exerted better anti-proliferative action towards T4-7D and MCF-7 cell lines than their corresponding imidazole counterparts. Furthermore, a mol. docking study suggested CDK2 kinase as a potential enzymic target for benzimidazoles, and investigated their possible binding pattern and interactions within CDK2 active site. Thereafter, benzimidazoles were in vitro examined for their CDK2 inhibitory action, where they exerted good activity. Finally, several key ADME and druglikeness properties were predicted by the SwissADME online tool. Interestingly, benzimidazoles were found to have no violations in all druglikeness rules. In addition, they had neither PAINS nor structural alerts (Brenks). In conclusion, benzimidazoles also an acceptable ADME and physicochem. properties especially I (R = R¹ = (CH)₄; Ar = 4-MeOC₆H₄). In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Category: esters-buliding-blocks).

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. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Category: esters-buliding-blocks

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

Spanish Melon Landraces: Revealing Useful Diversity by Genomic, Morphological, and Metabolomic Analysis was written by Flores-Leon, Alejandro;Perez Moro, Clara;Marti, Raul;Beltran, Joaquin;Rosello, Salvador;Cebolla-Cornejo, Jaime;Pico, Belen. And the article was included in International Journal of Molecular Sciences in 2022.Related Products of 868-57-5 This article mentions the following:

Spain is a secondary center of the diversification of the melon (Cucumis melo L.), with high diversity represented in highly appreciated landraces belonging to the Flexuosus and Ibericus groups. A collection of 47 accessions of Flexuosus, Chate, Piel de Sapo, Tendral, Amarillo, Blanco, and Rochet was analyzed using a genotyping-by-sequencing (GBS) approach. A total of 66,971 quality SNPs were identified. Genetic anal. differentiated Ibericus accessions and exotic materials (Ameri, Momordica, Kachri, and Agrestis), while Flexuous accessions shared ancestry between them. Within the Ibericus group, no clear genomic distinction could be identified for the different landraces evaluated, with accessions of different landraces showing high genetic similarity. The morphol. characterization confirmed that the external color and fruit shape had been used as recognition patterns for Spanish melon landraces, but variability within a landrace exists. Differences were found in the sugars and acid and volatile profiles of the materials. Flexuosus and Chate melons at the immature com. stage accumulated malic acid and low levels of hexoses, while Ibericus melons accumulated high contents of sucrose and citric acid. Specific trends could be identified in the Ibericus landraces. Tendral accumulated low levels of sugars and citric acid and high of malic acid, maintaining higher firmness, Rochet reached higher levels of sugars, and Amarillo tended to lower malic acid contents. Interestingly, high variability was found within landraces for the acidic profile, offering possibilities to alter taste tinges. The main volatile organic compounds (VOCs) in Flexuosus and Chate were aldehydes and alcs., with clear differences between both groups. In the Ibericus landraces, general trends for VOC accumulation could be identified, but, again, a high level of variation exists. This situation highlights the necessity to develop depuration programs to promote on-farm in situ conservation and, at the same time, offers opportunities to establish new breeding program targets and to take advantage of these sources of variation. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Related Products of 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) 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. 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.Related Products of 868-57-5

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

Discovery of 2-{4-[(3S)-Piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): A Novel Oral Poly(ADP-ribose)polymerase (PARP) Inhibitor Efficacious in BRCA-1 and -2 Mutant Tumors was written by Jones, Philip;Altamura, Sergio;Boueres, Julia;Ferrigno, Federica;Fonsi, Massimiliano;Giomini, Claudia;Lamartina, Stefania;Monteagudo, Edith;Ontoria, Jesus M.;Orsale, Maria Vittoria;Palumbi, Maria Cecilia;Pesci, Silvia;Roscilli, Giuseppe;Scarpelli, Rita;Schultz-Fademrecht, Carsten;Toniatti, Carlo;Rowley, Michael. And the article was included in Journal of Medicinal Chemistry in 2009.Category: esters-buliding-blocks This article mentions the following:

We disclose the development of a novel series of 2-phenyl-2H-indazole-7-carboxamides as poly(ADP-ribose)polymerase (PARP) 1 and 2 inhibitors. This series was optimized to improve enzyme and cellular activity, and the resulting PARP inhibitors display antiproliferation activities against BRCA-1 and BRCA-2 deficient cancer cells, with high selectivity over BRCA proficient cells. Extrahepatic oxidation by CYP450 1A1 and 1A2 was identified as a metabolic concern, and strategies to improve pharmacokinetic properties are reported. These efforts culminated in the identification of 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827), which displays good pharmacokinetic properties and is currently in phase I clin. trials. This compound displays excellent PARP 1 and 2 inhibition with IC₅₀ = 3.8 and 2.1 nM, resp., and in a whole cell assay, it inhibited PARP activity with EC₅₀ = 4 nM and inhibited proliferation of cancer cells with mutant BRCA-1 and BRCA-2 with CC₅₀ in the 10-100 nM range. MK-4827 was well tolerated in vivo and demonstrated efficacy as a single agent in a xenograft model of BRCA-1 deficient cancer. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Category: esters-buliding-blocks).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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.Category: esters-buliding-blocks

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

Catalytic Performance and Electrophoretic Behavior of an Yttrium-Organic Framework Based on a Tricarboxylic Asymmetric Alkyne was written by Perez, Juana M.;Rojas, Sara;Garcia-Garcia, Amalia;Montes-Andres, Helena;Ruiz Martinez, Cristina;Romero-Cano, Manuel S.;Choquesillo-Lazarte, Duane;Abdelkader-Fernandez, Victor Karim;Perez-Mendoza, Manuel;Cepeda, Javier;Rodriguez-Dieguez, Antonio;Fernandez, Ignacio. And the article was included in Inorganic Chemistry in 2022.Application In Synthesis of Dimethyl 5-ethynylisophthalate This article mentions the following:

A new Yttrium-based metal-organic framework (MOF) GR-MOF-6 with chem. formula {[YL(DMF)₂]·(DMF)}_n (H₃L = 5-((4-carboxyphenyl)ethynyl) isophthalic acid, DMF = DMF) was prepared by solvothermal route. The structural characterization reveals that this novel material is a 3-dimensional MOF in which the coordination of the tritopic ligand to Y(III) metal ions leads to an intercrossing channel system extending over three dimensions. This material showed to be a very efficient catalyst in the cyanosilylation of carbonyls, being the 2nd in highest catalytic activity among the reported rare earth metal-based MOFs described so far but with the lowest required catalyst loading. Its electrophoretic behavior was studied in deep providing a zero-charge point at pH between 4 and 5, and with the highest electrophoretic mobility of -1.553μm cm/V·s and a ζ-potential of -19.8 mV at pH 10. In the experiment, the researchers used many compounds, for example, Dimethyl 5-ethynylisophthalate (cas: 313648-56-5Application In Synthesis of Dimethyl 5-ethynylisophthalate).

Dimethyl 5-ethynylisophthalate (cas: 313648-56-5) 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. 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 Dimethyl 5-ethynylisophthalate

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

Stereoselective palladium catalyzed cyclization on carbohydrate templates- a route to chiral cyclopentanes and some heterocyclic analogs was written by Engelbrecht, G. J.;Holzapfel, C. W.. And the article was included in Tetrahedron Letters in 1991.Product Details of 17920-23-9 This article mentions the following:

Certain pseudoglycals are shown to be excellent substrates for the palladium catalyzed introduction of unsaturated pendants into the 1-, 2- or 4-positions followed by Pd-mediated cyclization. This methodol. provides a ready entry into homochiral substituted cyclopentanes and their heterocyclic analogs. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Product Details of 17920-23-9).

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. 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 17920-23-9

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

Synthesis, Coordination Chemistry and Anion Binding by a Cyanophenyl-Substituted 2-Pyridinylurea was written by Moyaert, Tristen;Schroeder, Zachary W.;Dawe, Louise N.. And the article was included in European Journal of Inorganic Chemistry in 2018.SDS of cas: 16413-26-6 This article mentions the following:

The design and synthesis of urea-based systems suitable for selective anion recognition demonstrated potential for environmental remediation. These systems act as a double hydrogen-bond donor to anion acceptors, however, the availability of the carbonyl group to also act as a hydrogen-bond acceptor has posed as an optimization challenge. One approach to address this obstacle is to design preorganized coordination complexes that decrease the accessibility of the carbonyl group, yet are still capable of anionic hydrogen bonding by secondary coordination. Herein, a new 2-pyridinylurea ligand, N-(3-cyanophenyl)-N’-pyridin-2-ylurea (L1), and its transition metal complexes, [(L1)₂Ni(CH₃OH)₂](NO₃)₂, [(L1)₂Co(CH₃OH)₂](NO₃)₂, [(L1)₂Ni(H₂O)₂](NO₃)₂ and [(L1)₂Cu(ClO₄)₂]_n were reported. Subtle changes in metal-to-ligand ratio and solvent conditions yielded dramatically different anion-binding motifs for two Ni²⁺ complexes, while bis-metal coordination of a perchlorate anion in the Cu²⁺ complex resulted in hydrogen bonding with the weakest available ligand acceptor. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6SDS of cas: 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.SDS of cas: 16413-26-6

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

Valorisation of Roman chamomile (Chamaemelum nobile L.) herb by comprehensive evaluation of hydrodistilled aroma and residual non-volatile fractions was written by Baranauskiene, Renata;Venskutonis, Petras Rimantas;Ragazinskiene, Ona. And the article was included in Food Research International in 2022.Computed Properties of C12H20O2 This article mentions the following:

Valorization of botanicals for the development of natural food-grade ingredients is an important task in terms of sustainability and processing waste reduction In this study, Roman chamomile (Chamaemelum nobile L.) herb was collected at six different vegetation phases in the period 26 May – 23 August 2019 and subjected to biorefining into the several valuable fractions. The yield of hydro-distilled essential oil (EO) was in the range of 0.22% (intensive vegetative growth) to 0.80% (full flowering). Angelic, isobutyric, butyric and methacrylic acid esters and some monoterpene and sesquiterpene derivatives were the major EO constituents: 3-methylpentyl angelate (20.11-27.56%), methallyl angelate (7.28-10.33%), isoamyl angelate (5.57-9.02%), iso-Bu angelate (4.84-6.79%), 2-methylbutyl angelate (3.11-6.32%), 3-methylamyl methacrylate (5.04-6.17%), 3-methylpentyl isobutyrate (4.29-6.64%), 3-methylamyl isobutyrate (4.29-6.64%), α-pinene (1.61-6.37%) and pinocarvone (1.46-4.67%). In order to valorize water soluble and solid EO distillation residues their antioxidant potential was evaluated by several in vitro assays: water extracts were considerably stronger antioxidants than acetone extracts isolated from the solid residues. Water extracts of the plants collected at flowering phases were the strongest antioxidants; their TPC, FRAP and ORAC values were up to 143.2 mg gallic acid equivalent/g, 650, and 5601 μmol TE/g dry extract, resp., while effective concentrations (EC50) of DPPH• and ABTS•+ scavenging, were down to 0.59 and 0.49 mg/mL, resp. Among 7 tentatively identified by UPLC/Q-TOF/MS phenolic constituents the intensity of mol. ion of 3,5-dicaffeoyl quinic acid was the largest. The results obtained may assist for developing flavorings, antioxidants and health beneficial preparations from C. nobile extracts 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 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. 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 C12H20O2

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

NMR spectroscopic study of tautomeric systems. V. Effect of substituents in the benzene ring and in the ester group on chemical shifts in PMR spectra of benzoylacetates was written by Zheglova, D. Kh.;Ershov, B. A.;Kol’tsov, A. I.. And the article was included in Zhurnal Organicheskoi Khimii in 1974.Recommanded Product: Ethyl 3-oxo-3-(m-tolyl)propanoate This article mentions the following:

NMR spectra of RC6H4COCH2CO2Et (R = p-Me2N, p-Br, m-Me, p-Me, and o-, m-, and p-Cl, -NO2 and -OMe) and of PhCOCH2CO2R (R = Me, Et, Pr, Me2CH, Bu, Me3C) were correlated with structure. Also prepared and characterized were p-RC6H4COCH2CO2R1 (R =MeO, R1 = Pr, Me2CH, Bu, Me2CHCH2, Me3C; R = NO2, R1 = Pr, Me2CH, Bu, Me3C). In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9Recommanded Product: Ethyl 3-oxo-3-(m-tolyl)propanoate).

Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Recommanded Product: Ethyl 3-oxo-3-(m-tolyl)propanoate

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

Banana liqueur: Optimization of the alcohol and sugar contents, sensory profile and analysis of volatile compounds was written by de Jesus Filho, Milton;do Carmo, Laisa Bernabe;Della Lucia, Suzana Maria;Saraiva, Sergio Henriques;Costa, Adilson Vidal;Osorio, Vanessa Moreira;Teixeira, Luciano Jose Quintao. And the article was included in LWT–Food Science and Technology in 2018.Computed Properties of C10H20O2 This article mentions the following:

The objective of this study was to evaluate the acceptability of liqueur based on its sensory profile, physicochem. composition and presence of the volatile compounds responsible for the aroma of the banana and banana liqueur. Sensory acceptance was conducted to investigate the effect of alc. content of the extracting solution on produced liqueurs. In addition, liqueurs were elaborated using different contents of alc. and sugar, which were evaluated as for pH, soluble solids, refractive index, d., absorbance, colorimetric parameters, besides the sensory anal. to judge the overall impression and the purchase intention of the products. A sensory characterization of the samples was performed by the Optimized Descriptive Profile (ODP) method. The volatile compounds were determined by solid phase microextraction and injected into the gas chromatograph coupled to the mass spectrometer. Adjusted models showed that the alc. content of 61.87 °GL of the extractive solution and alc. (17.29 °GL) and sugar (289.89 g L^-1) content of the final product may show greater acceptance and intention to purchase banana liqueur. In the ODP, the samples differed based on their adherence, alc. aroma, alc. taste and sweet taste. Volatile compounds characterized as esters were found on the banana and liqueur. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Computed Properties of C10H20O2).

Isopentyl 3-methylbutanoate (cas: 659-70-1) 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. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Computed Properties of C10H20O2

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