Tag: 100-200

Iodosobenzene-mediated direct and efficient oxidation of β-dicarbonyls to vicinal tricarbonyls catalyzed by iron(III) salts was written by Cui, Jian;Duan, Ya-Nan;Yu, Jun;Zhang, Chi. And the article was included in Organic Chemistry Frontiers in 2016.Reference of 13669-10-8 This article mentions the following:

Iodosobenzene was found to be effective in the direct oxidation of β-dicarbonyls R¹C(O)C(O)R² [R¹ = tert-Bu, 4-fluorophenyl, naphth-2-yl, thiophen-2-yl, etc.; R² = OEt, OMe, Ot-Bu, OBn, Ph, N(Et)₂, morpholino] to vicinal tricarbonyl compounds R¹C(O)C(O)C(O)R² catalyzed by Fe(NO₃)·9H₂O under mild and environmentally friendly conditions. Also, the present protocol was applied to the one-pot synthesis of heterocyclic compounds such as Et 3-phenylquinoxaline-2-carboxylate and Et 2-hydroxy-5-methyl-3-phenyl-2H-benzo[b][1,4]oxazine-2-carboxylate via vicinal tricarbonyls as the reactive intermediates. As for the reaction pathway, a plausible mechanism involving iodonium ylide, reactive carbene species and an α-hydroxylated intermediate R¹C(O)CH(OH)C(O)R² was proposed. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Reference of 13669-10-8).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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. 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.Reference of 13669-10-8

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

HS-SPME/GC-MS and chemometrics for volatile composition of Chinese traditional aromatic vinegar in the Zhenjiang region was written by Yu, Yong-Jian;Lu, Zhen-Ming;Yu, Ning-Hua;Xu, Wei;Li, Guo-Quan;Shi, Jing-Song;Xu, Zheng-Hong. And the article was included in Journal of the Institute of Brewing in 2012.Electric Literature of C11H14O3 This article mentions the following:

The main purpose of this study was to determine the volatile composition of Zhenjiang aromatic vinegar, one of the four famous China-style cereal vinegars, by using headspace solid-phase microextraction (HS-SPME)/gas chromatog.-mass spectrum (GC-MS) and chemometrics. For this purpose, the HS-SPME sampling method for the volatile compounds of Zhenjiang aromatic vinegar was optimized by a second-order rotatable central composite exptl. design (CCD). A HS extraction of the volatile compounds by incubation on a 65 μm thickness polydimethylsiloxane/divinylbenzene (PDMS/DVB) fiber during 44.2 min at 69.5°C with 1.9 g NaCl add gave the most effective and accurate extraction By the optimized method, a total of 58 volatile compounds, including 9 alcs., 13 acids, 16 esters, 5 aldehydes, 4 ketones and 8 heterocycle compounds, were identified from 13 aromatic vinegar samples manufactured in Zhenjiang region. By principal components anal. (PCA), the thirteen vinegar samples were classified into 3 groups, and 10 volatile compounds were chosen as characteristic compounds of Zhenjiang aromatic vinegars. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Electric Literature of C11H14O3).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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. 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. Electric Literature of C11H14O3

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

Charge-Transfer Character in a Covalent Diketopyrrolopyrrole Dimer: Implications for Singlet Fission was written by Mauck, Catherine M.;Bae, Youn Jue;Chen, Michelle;Powers-Riggs, Natalia;Wu, Yi-Lin;Wasielewski, Michael R.. And the article was included in ChemPhotoChem in 2018.Product Details of 13669-10-8 This article mentions the following:

Diketopyrrolopyrrole (DPP) is a strongly absorbing, photostable chromophore that can undergo singlet fission (SF), a photophys. process that promises to significantly enhance solar-cell performance. In the solid state, DPP packs in a herringbone arrangement that maximizes intermol. donor-acceptor interactions, suggesting that charge-transfer (CT) states play a role in DPP SF. In order to characterize intermol. DPP CT states in mol. assemblies, we have synthesized a covalent DPP dimer bridged by a xanthene linker, which places two thiophene-substituted DPPs (TDPPs) in a cofacial arrangement that mimics chromophore π-π stacking in the thin film. After photoexcitation in polar solvents, symmetry-breaking charge separation forms the fully charge separated TDPP^+.-TDPP^-. ion-pair state. In nonpolar solvents, charge separation is incomplete leading to the TDPP^δ+-TDPP^δ- CT state, which is in pseudoequil. with the relaxed S₁S₀ state observed by transient absorption and emission spectroscopy. This study highlights the importance of intramol. coupling as well as the importance of entropy to promoting SF in chromophore dimers for which SF is endo- or isoergic. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Product Details of 13669-10-8).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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.Product Details of 13669-10-8

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

Synthesis, biological evaluation, and molecular modeling investigation of chiral 2-(4-chloro-phenoxy)-3-phenyl-propanoic acid derivatives with PPARα and PPARγ agonist activity was written by Fracchiolla, Giuseppe;Lavecchia, Antonio;Laghezza, Antonio;Piemontese, Luca;Trisolini, Raffaella;Carbonara, Giuseppe;Tortorella, Paolo;Novellino, Ettore;Loiodice, Fulvio. And the article was included in Bioorganic & Medicinal Chemistry in 2008.Related Products of 15399-05-0 This article mentions the following:

PPARs are ligand-activated transcription factors that govern lipid and glucose homeostasis and play a central role in cardiovascular disease, obesity, and diabetes. Herein, we present screening results for a series of chiral 2-(4-chloro-phenoxy)-3-phenyl-propanoic acid derivatives, some of which are potent PPARγ agonists as well as PPARα agonists. To investigate the binding modes of the most interesting derivatives into the PPARα and PPARγ binding clefts and evaluate their agonist activity, docking experiments, mol. dynamics simulations, and MM-PBSA anal. were performed. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Related Products of 15399-05-0).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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.Related Products of 15399-05-0

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

Changes of Sensory Quality, Flavor-Related Metabolites and Gene Expression in Peach Fruit Treated by Controlled Atmosphere (CA) under Cold Storage was written by Liu, Hongru;He, Hui;Liu, Chenxia;Wang, Chunfang;Qiao, Yongjin;Zhang, Bo. And the article was included in International Journal of Molecular Sciences in 2022.Recommanded Product: 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

Controlled atm. (CA) has been used to alleviate chilling injury (CI) of horticultural crops caused by cold storage. However, the effects of CA treatment on peach fruit sensory quality and flavor-related chems. suffering from CI remain largely unknown. Here, we stored peach fruit under CA with 5% O₂ and 10% CO₂ at 0°C up to 28 d followed by a subsequent 3 d shelf-life at 20°C (28S3). CA significantly reduced flesh browning and improved sensory quality at 28S3. Though total volatiles declined during extended cold storage, CA accumulated higher content of volatile esters and lactones than control at 28S3. A total of 14 volatiles were pos. correlated with consumer acceptability, mainly including three C6 compounds, three esters and four lactones derived from the fatty acid lipoxygenase (LOX) pathway. Correspondingly, the expression levels of genes including PpLOX1, hyperoxide lyase PpHPL1 and alc. acyltransferase PpAAT1 were pos. correlated with the change of esters and lactones. CA elevated the sucrose content and the degree of fatty acids unsaturation under cold storage, which gave us clues to clarify the mechanism of resistance to cold stress. The results suggested that CA treatment improved sensory quality by alleviating CI of peach fruits under cold storage. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Recommanded Product: 5-Ethyldihydrofuran-2(3H)-one).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. 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: 5-Ethyldihydrofuran-2(3H)-one

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

Madeira wine volatile profile. a platform to establish madeira wine aroma descriptors was written by Perestrelo, Rosa;Silva, Catarina;Camara, Jose S.. And the article was included in Molecules in 2019.Related Products of 118-61-6 This article mentions the following:

In the present study we aimed to investigate the volatile organic compounds (VOCs) that may potentially be responsible for specific descriptors of Madeira wine providing details about Madeira wine aroma notes at mol. level. Moreover, the wine aroma profile, based on the obtained data, will be a starting point to evaluate the impact of grape variety (Malvasia, Bual, Sercial, Verdelho and Tinta Negra), type (sweet, medium sweet, dry and medium dry), and age (from 3 to 20 years old) on Madeira wine sensorial properties. Firstly, a comprehensive and in-depth Madeira wine volatile profiling was carried out using headspace solid-phase microextraction combined with gas chromatog.-mass spectrometry (HS-SPME/GC-qMS). Secondly, a relation among the varietal, fermentative and aging aroma compounds, and their aroma descriptors with the Madeira wine sensorial properties was assessed. A total of 82 VOCs, belonging to different chem. families were identified, namely 21 esters, 13 higher alcs., ten terpenic compounds, nine fatty acids, seven furanic compounds, seven norisoprenoids, six lactones, four acetals, four volatile phenols and one sulfur compound From a sensorial point of view, during the aging process the wine lost its freshness and fruitiness odor related to the presence of some varietal and fermentative compounds, whereas other descriptors such as caramel, dried fruits, spicy, toasty and woody, arose during ageing. The Maillard reaction and diffusion from the oak were the most important pathways related with these descriptors. A relationship-based approach was used to explore the impact of grape variety, wine type, and age on Madeira wine sensorial properties based on shared number of VOCs and their odors. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Related Products of 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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 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.Related Products of 118-61-6

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

Comprehensive investigation of lactones and furanones in icewines and dry wines using gas chromatography-triple quadrupole mass spectrometry was written by Qian, Xu;Lan, Yibin;Han, Shen;Liang, Nana;Zhu, Baoqing;Shi, Ying;Duan, Changqing. And the article was included in Food Research International in 2020.Computed Properties of C6H10O2 This article mentions the following:

A number of lactones and furanones associated with pleasant odorants play a vital role in grape and wine aroma profiles. However, they are usually present at trace levels and are particularly challenging to measure. In this work, an optimized method based on solid-phase extraction (SPE) coupled with gas chromatog.-triple quadrupole mass spectrometry (GC-QqQ-MS/MS) was developed for simultaneous determination of 14 lactones and 3 furanones. The validation was carried out using different types of wine as matrixes, and satisfactory linearity, sensitivity, trueness and precision were confirmed. Furaneol and sotolon showed significantly lower limits of detection (LODs) in three real wines compared to model wine due to the matrix effect. Furthermore, the method was successfully applied to investigate the concentration range of lactones and furanones in several icewines, dry red and white wines. Icewines contained higher concentrations of most lactones and furanones compared with dry red and white wines. Partial least squares-discriminate anal. (PLS-DA) also indicated that γ-hexa-, γ-octa-, γ-nona-, γ-deca-, δ-hexa-, and δ-decalactone, as well as 5,6-dihydro-6-pentyl-2H-pyran-2-one (C10 massoia lactone), sotolon and homofuraneol contributed greatly to the discrimination between icewines and dry wines. Moreover, the calculation of odor activity value (OAV) suggested that γ-octa-, γ-nona-, and γ-decalactone, as well as furaneol and homofuraneol contributed greatest to the aroma of icewines. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Computed Properties of C6H10O2).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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.Computed Properties of C6H10O2

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

Preclinical evaluation of 1,2,4-triazole-based compounds targeting voltage-gated sodium channels (VGSCs) as promising anticonvulsant drug candidates was written by Kapron, Barbara;Luszczki, Jarogniew J.;Siwek, Agata;Karcz, Tadeusz;Nowak, Gabriel;Zagaja, Miroslaw;Andres-Mach, Marta;Stasilowicz, Anna;Cielecka-Piontek, Judyta;Kocki, Janusz;Plech, Tomasz. And the article was included in Bioorganic Chemistry in 2020.Name: Ethyl 2-hydroxybenzoate This article mentions the following:

Epilepsy is a chronic neurol. disorder affecting nearly 65-70 million people worldwide. Despite the observed advances in the development of new antiepileptic drugs (AEDs), still about 30-40% of patients cannot achieve a satisfactory seizure control. In our current research, we aimed at using the combined results of radioligand binding experiments, PAMPA-BBB assay and animal experimentations in order to design a group of compounds that exhibit broad spectrum of anticonvulsant activity. The synthesized 4-alkyl-5-substituted-1,2,4-triazole-3-thione derivatives were primarily screened in the maximal electroshock-induced seizure (MES) test in mice. Next, the most promising compounds (17, 22) were investigated in 6 Hz (32 mA) psychomotor seizure model. Protective effect of compound 22 was almost similar to that of levetiracetam. Moreover, these compounds did not induce genotoxic and hemolytic changes in human cells as well as they were characterized by low cellular toxicity. Taking into account the structural requirements for good anticonvulsant activity of 4-alkyl-5-aryl-1,2,4-triazole-3-thiones, it is visible that small electron-withdrawing substituents attached to Ph ring have beneficial effects both on affinity towards VGSCs and protective activity in the animal models of epilepsy. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Name: Ethyl 2-hydroxybenzoate).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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. 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.Name: Ethyl 2-hydroxybenzoate

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

Neryl acetate synthesis from nerol esterification with acetic anhydride by heterogeneous catalysis using ion exchange resin was written by Zeferino, Rubieli Carla Frezza;Piaia, Vinicius Aleixo Angonese;Orso, Vinicius Tres;Pinheiro, Vitor Machado;Zanetti, Micheli;Colpani, Gustavo Lopes;Padoin, Natan;Soares, Cintia;Fiori, Marcio Antonio;Riella, Humberto Gracher. And the article was included in Journal of Industrial and Engineering Chemistry (Amsterdam, Netherlands) in 2022.COA of Formula: C12H20O2 This article mentions the following:

This work aims to synthesize neryl acetate from the nerol esterification reaction with acetic anhydride through heterogeneous catalysis using the ion exchange resin Lewatit GF 101. The reaction was monitored by gas chromatog. and the neryl acetate chem. structure was confirmed by mass spectrometry and NMR spectroscopy. The variables effect on the neryl acetate synthesis was evaluated from an exptl. design anal. The reaction showed the highest combined values for nerol conversion (98.11%) and neryl acetate selectivity (86.10%) at 30 min within optimal exptl. conditions of temperature at 40°C, catalyst content at 7% wt, molar ratio at 1:4 (nerol: acetic anhydride), agitation speed at 250 rpm and nerol content at 3 mmol. The complete nerol conversion was achieved at 40 min with 82.34% selectivity. The reaction rate was controlled only by the nerol decay, an expected behavior due to the excess of acetic anhydride used. In addition, the value obtained for the main reaction kinetic constant found by a pseudo-homogeneous model was 6 times greater than that of the parallel reaction. The catalyst reuse was investigated and after 3 cycles a high conversion (96.68%) and selectivity (83.78%) were observed indicating a low loss of the catalytic activity. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3COA of Formula: 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. 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: C12H20O2

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

Synthesis and Preliminary Screening of O-β-D-Galactopyranosides as Potential Mimic of UDP-Galp against Mycobacterium tuberculosis was written by Mugunthan, G.;Sriram, Dharmarajan;Yogeeswari, Perumal;Kartha, K. P. Ravindranathan. And the article was included in Journal of Carbohydrate Chemistry in 2012.Computed Properties of C8H4N2O This article mentions the following:

O-Galactopyranosides, e.g. I, were synthesized as potential mimics of uridine diphosphate galactopyranose (UDP-Galp), which is the substrate of the mutase enzyme involved in the mycobacterial cell wall biosynthesis by converting UDP-Galp to UDP-Galf. In vitro assay against the Mycobacterium tuberculosis H₃₇Rv strain gave promising results with min. inhibitory concentration (MIC) values in the range of 3.13 to 25 μg/mL. 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. 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.Computed Properties of C8H4N2O

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