Category: 763-69-9

A complete kinetic study of a versatile functional monomer: acetoacetoxyethyl methacrylate (AAEMA) was written by Zoller, Alexander;Kockler, Katrin B.;Rollet, Marion;Lefay, Catherine;Gigmes, Didier;Barner-Kowollik, Christopher;Guillaneuf, Yohann. And the article was included in Polymer Chemistry in 2016.COA of Formula: C7H14O3 The following contents are mentioned in the article:

The current study reports the complete kinetic anal. of acetoacetoxyethyl methacrylate (AAEMA). The temperature dependent propagation rate coefficient, k_p, was accessed by pulsed laser polymerization-size exclusion chromatog. (PLP-SEC), affording the following Arrhenius parameters: A = 2.13 × 10⁶ L mol^-1 s^-1 and E_a = 19.69 kJ mol^-1. For the SEC-anal., the Mark-Houwink-Kuhn-Sakurada (MHKS) parameters of the corresponding polymer were determined (K = 0.0250 mL g^-1; α = 0.547) via multiple detection SEC. Furthermore, reactivity ratios for the copolymerization with Me methacrylate (MMA) at 75 °C in Et 3-ethoxypropionate (EEP) were obtained by the Meyer-Lowry method (r_MMA = 0.89; r_AAEMA = 0.98), supported by a detailed kinetic simulation using the PREDICI simulation package. In addition, copolymerization was carried out at ambient temperature with a bicomponent dibenzoyl peroxide (BPO)/dihydroxyethyl-p-toluidine (DHEPT) initiator system, demonstrating a strong increase of the rate of copolymerization with increasing AAEMA content (i.e. 40% decrease of the gel time by adding 10 mol% of AAEMA). This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9COA of Formula: C7H14O3).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.COA of Formula: C7H14O3

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

Differences in the Volatile Compositions of French Labeled Brandies (Armagnac, Calvados, Cognac, and Mirabelle) Using GC-MS and PLS-DA was written by Ledauphin, Jerome;Le Milbeau, Claude;Barillier, Daniel;Hennequin, Didier. And the article was included in Journal of Agricultural and Food Chemistry in 2010.Application In Synthesis of Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:

A total of 207 volatile compounds were identified in extracts of four French labeled brandies: Armagnac, Cognac, Calvados, and Mirabelle. Relative levels of all components were determined using GC-MS after integration of a selected peak of the mass spectrum of each. Each type of brandy could be clearly discriminated using PLS-DA statistical analyses based on these levels. French Mirabelle spirit, which was studied for the first time, was characterized by higher levels of many aldehydes and acetals and by the presence of compounds having an odd number of carbons together with benzaldehyde and some of its derivatives Many possible derivatives of acrolein and high amounts of butan-2-ol were rather specific for the volatile composition of Calvados. The most important difference between the two wine-based samples seemed to be directly linked to the distillation system used. Many furanic compounds are specific to Cognac, whereas two or three compounds such as 1-(ethoxyethoxy)-2-methylbutane and γ-eudesmol were specific to Armagnac. These two brandies presented rather high distributions of isobutanol and isopentanols, whereas Mirabelle and Calvados compositions offer more concentrated aliphatic linear alcs. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Application In Synthesis of Ethyl 3-ethoxypropanoate).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Application In Synthesis of Ethyl 3-ethoxypropanoate

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

Design and synthesis of novel androgen receptor antagonists via molecular modeling was written by Zhao, Chao;Choi, You Hee;Khadka, Daulat Bikram;Jin, Yifeng;Lee, Kwang-Youl;Cho, Won-Jea. And the article was included in Bioorganic & Medicinal Chemistry in 2016.Recommanded Product: Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:

Several androgen receptor (AR) antagonists are clin. prescribed to treat prostate cancer. Unfortunately, many patients become resistant to the existing AR antagonists. To overcome this, a novel AR antagonist candidate called DIMN was discovered by our research group in 2013. In order to develop compounds with improved potency, we designed novel DIMN derivatives based on a docking study and substituted carbons with heteroatom moieties. Encouraging in vitro results for compounds 1b, 1c, 1e, 3c, and 4c proved that the new design was successful. Among the newly synthesized compounds, 1e exhibited the strongest inhibitory effect on LNCaP cell growth (IC₅₀ = 0.35 μM) and also acted as a competitive AR antagonist with selectivity over the estrogen receptor (ER) and the glucocorticoid receptor (GR). A docking study of compound 1e fully supported these biol. results. Compound 1e is considered to be a novel, potent and AR-specific antagonist for treating prostate cancer. Thus, our study successfully applied mol. modeling and bioisosteric replacement for hit optimization. The methods here provide a guide for future development of drug candidates through structure-based drug discovery and chem. modifications. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Recommanded Product: Ethyl 3-ethoxypropanoate).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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. Recommanded Product: Ethyl 3-ethoxypropanoate

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

Practical Considerations on the Use of Predictive Models for Regulatory Purposes was written by Tunkel, Jay;Mayo, Kelly;Austin, Carlye;Hickerson, Amy;Howard, Philip. And the article was included in Environmental Science and Technology in 2005.Recommanded Product: 763-69-9 The following contents are mentioned in the article:

Interest in the use of quant. structure-activity relationships (QSAR) for regulatory purposes has grown steadily over the years; many models have been evaluated under guidance and acceptability criteria defined at the Mar. 2002 Setubal Workshop (Portugal). This work explored practical issues related to using QSAR for regulatory purposes with results obtained from rat oral lethality and fish acute toxicity estimates generated from computational models (TOPKAT, MCASE, OASIS, ECOSAR). Using data submitted under the USEPA High Production Volume (HPV) Challenge Program, results on the quality of estimations were compared using a standard statistical review and an addnl. classification approach in which hazard predictions were grouped using well-defined regulatory criteria (USEPA New Chem. Program). Results indicated an evaluation of the regulatory applicability and predictive power of a model ultimately depends on the specific criteria used in the assessment process. This work also discusses practical difficulties associated with defining the domain of a predictive model using estimates of 4 ready biodegradation models and exptl. data submitted under the EPA New Chem. program. Results suggested the method a model uses for its predictions is as important as the training set in determining its domain of applicability. Together, these results highlighted challenges associated with developing reliable, easily applied acceptability criteria for the regulatory use of QSAR models. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Recommanded Product: 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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: 763-69-9

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

Solvent-Assisted Stepwise Redox Approach To Generate Zeolite NaA-Supported K₂O as Strong Base Catalyst for Michael Addition of Ethyl Acrylate with Ethanol was written by Zhang, Zhuxiu;Hu, Mengnan;Lv, Baoshuai;Kang, Jingjuan;Tang, Jihai;Fei, Zhaoyang;Chen, Xian;Liu, Qing;Cui, Mifen;Qiao, Xu. And the article was included in ACS Omega in 2018.Application of 763-69-9 The following contents are mentioned in the article:

Solid base catalysts featuring green, robustness, and high activity play an important role in the current fine-chem. and petrochem. industry. Normally, the generation of supported K₂O by thermal decomposition of KNO₃ requires high temperature, and this process can sometimes destroy the structure of supporting materials. We herein report a solvent-assisted stepwise redox (SASR) approach to generate zeolite NaA-supported K₂O, which we call K₂O/NaA, that function as the solid base catalyst for Michael addition reaction between ethanol and Et acrylate. The solvent-assisted redox decomposition process of KNO₃ at elevated temperature was investigated by thermogravimetry-mass spectrometry. It reveals that after reducing a minor amount of KNO₃ at 400 °C, the organic solvent decomposes to form carbon, which promotes the reduction of KNO₃ to generate strong basicity on the zeolite NaA at 600 °C. The resulting material, K₂O/NaA-S, exhibits improved catalytic activity in Michael addition reaction over other benchmark base catalysts that have been used in this reaction. This catalyst is durable for at least four catalytic cycles without apparent loss in activity. K₂O/NaA-S exhibits larger reaction rate constant yet lower activation energy than K₂O/NaA prepared by thermal decomposition method. The SASR approach described in this paper represents a new blueprint for the generation of the supported alkali oxide as the solid base catalyst. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Application of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Application of 763-69-9

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

Untargeted fingerprinting of cider volatiles from different geographical regions by HS-SPME/GC-MS was written by Perestrelo, Rosa;Silva, Catarina L.;Silva, Pedro;Medina, Sonia;Pereira, Regina;Camara, Jose S.. And the article was included in Microchemical Journal in 2019.Product Details of 763-69-9 The following contents are mentioned in the article:

The volat. fingerprint of ciders produced in different geog. regions from Madeira Island was established using headspace solid phase microextraction combined with gas chromatog. mass spectrometry (HS-SPME/GC-MS) in order to explore the effects of geog. region on the volatile pattern ciders in addition to identify potential mol. geog. markers. A total of 107 volatile organic compounds (VOCs) belonging to different chem. families were identified from which 50 VOCs are common to all ciders analyzed. Significant differences in the relative content of VOCs from ciders of different geog. regions were observed The potential of the identified VOCs for ciders discrimination according to region was assessed through chemometric tools, such as principal components anal. (PCA) and partial least squares-discriminant anal. (PLS-DA). The PCA showed significant differences among ciders from different island geog. regions. Fifteen VOCs responsible for ciders discrimination were identified by PLS-DA. Fifteen VOCs, namely five terpenoids, four alcs., three acids and three esters, present variable importance in projection (VIP) values higher than one. Our findings provide relevant information related to volatile signature of ciders produced in Madeira Island, which may be a useful tool to cider-making process contributing to improve the quality of the final product. In addition, the geog. discrimination recognizes the unique and distinctive characteristics that will allow in the future to protect the quality and typicity of products originating in certain geog. regions. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Product Details of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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.Product Details of 763-69-9

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

Comparison between multi-linear- and radial-basis-function-neural-network-based QSPR models for the prediction of the critical temperature, critical pressure and acentric factor of organic compounds was written by Banchero, Mauro;Manna, Luigi. And the article was included in Molecules in 2018.SDS of cas: 763-69-9 The following contents are mentioned in the article:

Critical properties and acentric factor are widely used in phase equilibrium calculations but are difficult to evaluate with high accuracy for many organic compounds Quant. Structure-Property Relationship (QSPR) models are a powerful tool to establish accurate correlation between mol. properties and chem. structure. QSPR multi-linear (MLR) and radial basis-function-neural-network (RBFNN) models have been developed to predict the critical temperature, critical pressure and acentric factor of a database of 306 organic compounds RBFNN models provided better data correlation and higher predictive capability (an AAD% of 0.92-2.0% for training and 1.7-4.8% for validation sets) than MLR models (an AAD% of 3.2-8.7% for training and 6.2-12.2% for validation sets). The RMSE of the RBFNN models was 20-30% of the MLR ones. The correlation and predictive performances of the models for critical temperature were higher than those for critical pressure and acentric factor, which was the most difficult property to predict. However, the RBFNN model for the acentric factor resulted in the lowest RMSE with respect to previous literature. The close relationship between the three properties resulted from the selected mol. descriptors, which are mostly related to mol. electronic charge distribution or polar interactions between mols. QSPR correlations were compared with the most frequently used group-contribution methods over the same database of compounds: although the MLR models provided comparable results, the RBFNN ones resulted in significantly higher performance. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9SDS of cas: 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. 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.SDS of cas: 763-69-9

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

Quantitative structure-activity relationship (QSAR) modeling of EC₅₀ of aquatic toxicities for Daphnia magna was written by Katritzky, Alan R.;Slavov, Svetoslav H.;Stoyanova-Slavova, Iva S.;Kahn, Iiris;Karelson, Mati. And the article was included in Journal of Toxicology and Environmental Health in 2009.Product Details of 763-69-9 The following contents are mentioned in the article:

The exptl. EC₅₀ toxicities toward Daphnia magna for a series of 130 benzoic acids, benzaldehydes, phenylsulfonyl acetates, cycloalkane-carboxylates, benzanilides, and other esters were studied using the Best multilinear regression algorithm (BMLR) implemented in CODESSA. A modified quant. structure-activity relationships (QSAR) procedure was applied guaranteeing the stability and reproducibility of the results. Separating the initial data set into training and test subsets generated three independent models with an average R² of.735. A five-descriptor general model including all 130 compounds, constructed using the descriptors found effective for the independent subsets, was characterized by the following statistical parameters: R² =.712; R²_cv =.676; F = 61.331; s² = 0.6. The removal of two extreme outliers improved significantly the statistical parameters: R² =.759; R²_cv =.728; F = 77.032; s² = 0.499. The sensitivity of the general model to chance correlations was estimated by applying a scrambling procedure involving 20 randomizations of the original property values. The resulting R² =.192 demonstrated the high robustness of the model proposed. The descriptors appearing in the obtained models are related to the biochem. nature of the adverse effects. An addnl. study of the EC₅₀/LC₅₀ relationship for a series of 28 compounds (part of our general data set) revealed that these endpoints correlated with R² =.98. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Product Details of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Product Details of 763-69-9

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

Non-volatile extractable analysis of prefilled syringes for parenteral administration of drug products was written by Dorival-Garcia, Noemi;Larsson, Iben;Bones, Jonathan. And the article was included in Journal of Pharmaceutical and Biomedical Analysis in 2017.Application In Synthesis of Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:

The determination of extractable profiles for single-use technologies represents an important aspect of pharmaceutical production to minimize any possible compromise in drug product quality or potential risk to patients by identifying substances that may potentially leach from such devices. An approach for the extractable assessment of prefilled syringes, a promising alternative for parenteral administration of pharmaceutical products, is described herein. Four extraction solvents were selected: a mixture 2-propanol:water (1:1), was intended to represent aggressive conditions to extract a broad spectrum of extractables, including organic additives and substances which are poorly water-soluble Extractions with buffers at three different working pH values spanning a range standardly used in pharmaceutical formulations were also evaluated to identify substances that require specific conditions for their extraction due to their individual chem. properties. Syringes from two different brands were analyzed along with their corresponding plunger stoppers. Syringes were extracted at 40 °C for 4 days, the plunger stoppers were extracted with 2-propanol at 70 °C for 24 h according to ISO 10993-12:2012. Extractables were identified by UHPLC-MS on a quadrupole time of flight instrument using a non-targeted discovery strategy. A total of 25 compounds were identified, mostly polymer additives and their degradation products. The presented methodol. represents a reference point for further studies focused on the characterization of extractables and leachables from prefilled syringes. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Application In Synthesis of Ethyl 3-ethoxypropanoate).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Application In Synthesis of Ethyl 3-ethoxypropanoate

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

Effect of the Melicoccus bijugatus leaf and fruit extracts and acidic solvents on the antimicrobial properties of chitosan-starch films was written by Juarez-Mendez, M. E.;Lozano-Navarro, J. I.;Velasco-Santos, C.;Perez-Sanchez, J. F.;Zapien-Castillo, S.;Del Angel-Moxica, I. E.;Melo-Banda, J. A.;Tijerina-Ramos, B. I.;Diaz-Zavala, N. P.. And the article was included in Journal of Applied Microbiology in 2021.Application In Synthesis of Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:

Aim : Analyzing the antimicrobial activity-against food-borne micro-organisms-of modified chitosan-starch films using formic and acetic acid as chitosan solvents and Melicoccus bijugatus leaves and fruit extracts Methods and Results : The films’ antimicrobial activity against mesophilic aerobic bacteria, total coliform and fungi were also analyzed, in accordance with the Mexican Official Norms (NOM-092-SSA1-1994, NOM-111-SSA1-1994 and NOM-113-SSA1-1994). The pH values of the films and extracts were measured, and the volatile compounds of the extracts and two films were determined by Gas Chromatog.-Mass Spectrometry (GC-MS) considering the relationship among the type of compounds, extracts concentration, films’ pH and the antimicrobial activity against bacteria and fungi. The best results are obtained by films with formic acid and 10% (volume/volume) of leaf and fruit extracts, in comparison with untreated chitosan-starch films. Conclusions : The extracts’ compounds improved the films’ antimicrobial capacity and inhibited the growth of micro-organisms with no previous sterilization required. It is correlated to the pH of the media, the combination of solvent/extract used and its concentration Significance and Impact of the study : This is one of the few researches where the antimicrobial activity of M. bijugatus extracts is studied. It was found that the presence of these extracts is capable of improving the antimicrobial activities of chitosan-starch films. The performance of the modified films suggests their potential application as novel food packaging materials and encourages further research. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Application In Synthesis of Ethyl 3-ethoxypropanoate).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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. Application In Synthesis of Ethyl 3-ethoxypropanoate

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