Category: esters-buliding-blocks

Synthesis of novel rigid-rod and tripodal azulene chromophores was written by Lamberto, Massimiliano;Pagba, Cynthia;Piotrowiak, Piotr;Galoppini, Elena. And the article was included in Tetrahedron Letters in 2005.Product Details of 313648-56-5 This article mentions the following:

Two novel azulene chromophores and were synthesized to study dynamics of ultrafast electron injection at the interface of TiO₂ semiconductor nanoparticles. Fluorescence quenching was observed upon binding. In the experiment, the researchers used many compounds, for example, Dimethyl 5-ethynylisophthalate (cas: 313648-56-5Product Details of 313648-56-5).

Dimethyl 5-ethynylisophthalate (cas: 313648-56-5) 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. 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. Product Details of 313648-56-5

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

Dissecting fine-flavor cocoa bean fermentation through metabolomics analysis to break down the current metabolic paradigm was written by Herrera-Rocha, Fabio;Cala, Monica P.;Aguirre Mejia, Jenny Lorena;Rodriguez-Lopez, Claudia M.;Chica, Maria Jose;Olarte, Hector Hugo;Fernandez-Nino, Miguel;Gonzalez Barrios, Andres Fernando. And the article was included in Scientific Reports in 2021.Formula: C12H14O4 This article mentions the following:

Cocoa fermentation plays a crucial role in producing flavor and bioactive compounds of high demand for food and nutraceutical industries. Such fermentations are frequently described as a succession of three main groups of microorganisms (i.e., yeast, lactic acid, and acetic acid bacteria), each producing a relevant metabolite (i.e., ethanol, lactic acid, and acetic acid). Nevertheless, this view of fermentation overlooks two critical observations: the role of minor groups of microorganisms to produce valuable compounds and the influence of environmental factors (other than oxygen availability) on their biosynthesis. Dissecting the metabolome during spontaneous cocoa fermentation is a current challenge for the rational design of controlled fermentations This study evaluates variations in the metabolic fingerprint during spontaneous fermentation of fine flavor cocoa through a multiplatform metabolomics approach. Our data suggested the presence of two phases of differential metabolic activity that correlate with the observed variations on temperature over fermentations: an exothermic and an isothermic phase. We observed a continuous increase in temperature from day 0 to day 4 of fermentation and a significant variation in flavonoids and peptides between phases. While the second phase, from day four on, was characterized for lower metabolic activity, concomitant with small upward and downward fluctuations in temperature Our work is the first to reveal two phases of metabolic activity concomitant with two temperature phases during spontaneous cocoa fermentation Here, we proposed a new paradigm of cocoa fermentation that considers the changes in the global metabolic activity over fermentation, thus changing the current paradigm based only on three main groups of microorganism and their primary metabolic products. In the experiment, the researchers used many compounds, for example, 4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4Formula: C12H14O4).

4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Formula: C12H14O4

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

Characterization of the binding site of the histamine H₃ Receptor. 2. Synthesis, in vitro pharmacology, and QSAR of a series of monosubstituted benzyl analogues of thioperamide was written by Windhorst, Albert D.;Timmerman, Henk;Worthington, Edward A.;Bijloo, Greetje J.;Nederkoorn, Paul H. J.;Menge, Wiro M. P. B.;Leurs, Rob;Herscheid, Jacobus D. M.. And the article was included in Journal of Medicinal Chemistry in 2000.Safety of 4-Fluorobenzylisothiocyanate This article mentions the following:

The thioperamide analogs I (R = Cl, Br, F, H, Me₃C) were prepared and evaluated for their histamine H₃ receptor activity on the guinea pig jejunum. Incorporation of Cl, Br, and I at the ortho position of the benzyl moiety led to an increase of the pA₂ value, whereas the same substituents at the para position led to a decrease. However, a fluorine substituent gave a strong decrease in pA₂, regardless of the position. Mol. modeling revealed a QSAR with a correlation between the pA₂ and the dihedral angle between the thiourea and the benzyl moiety and the calculated electron d. on the substituted carbon atom. To verify whether this QSAR model had a predictive value, the ortho tert-Bu and Me analogs were synthesized and evaluated. Indeed it was shown that the predicted pA₂ values of these two compounds were in accordance with the measured pA₂ values. In the experiment, the researchers used many compounds, for example, 4-Fluorobenzylisothiocyanate (cas: 2740-88-7Safety of 4-Fluorobenzylisothiocyanate).

4-Fluorobenzylisothiocyanate (cas: 2740-88-7) 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.Safety of 4-Fluorobenzylisothiocyanate

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

Identification of chemicals of emerging concern in urine of Flemish adolescents using a new suspect screening workflow for LC-QTOF-MS was written by Caballero-Casero, Noelia;Castro, Gabriela;Bastiaensen, Michiel;Gys, Celine;van Larebeke, Nik;Schoeters, Greet;Covaci, Adrian. And the article was included in Chemosphere in 2021.Quality Control of Dimethyl decanedioate This article mentions the following:

An essential step in human biomonitoring or mol. epidemiol. programs is to estimate human exposure to environmental chems. Despite significant progress in the capabilities of anal. methods, the number of pollutants and their metabolites keeps increasing continuously. Some of these relatively unknown chems. of emerging concern (CECs) may pose significant health risks to humans and biota, but remain virtually undetected in traditional HBM-studies. Non-target and suspect screening techniques based on high-resolution mass spectrometry (HRMS) perform the detection and identification of compounds without any a priori compound selection or chem. information and provide a more holistic overview of human exposure. In this study, 50 urine samples (25 female and 25 male) from a larger cohort of the Flemish Environment and Health Study (FLEHS IV, 2016-2020) have been submitted to suspect screening anal., with the aim of detecting and identifying new CECs. For this purpose, an anal. method has been developed, optimized and evaluated in terms of anal. performance. Satisfactory results were obtained in terms of reproducibility, sensitivity and quality control. Data-mining was performed through the combination of two different workflows. The use of two complementary workflows enhanced the number of identified compounds As a result, 45 CECs have been identified with a level of confidence ranged between 3 and 1. Most of the identified compounds were metabolisation products, many of which were currently not included in the targeted measurements of FLEHS IV. The identified chems. and metabolites could be used as candidate biomarkers of exposure in future studies. Overall, the newly developed suspect screening workflow of this pilot study provided complementary and promising results for future HBM-programs. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Quality Control of Dimethyl decanedioate).

Dimethyl decanedioate (cas: 106-79-6) 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. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Quality Control of Dimethyl decanedioate

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

Bronsted base-catalyzed α-oxygenation of carbonyl compounds utilizing the [1,2]-phospha-Brook rearrangement was written by Kondoh, Azusa;Terada, Masahiro. And the article was included in Organic Chemistry Frontiers in 2015.COA of Formula: C11H14O3 This article mentions the following:

A novel α-oxygenation reaction of carbonyl compounds was developed by utilizing the [1,2]-phospha-Brook rearrangement under Bronsted base catalysis. The reaction proceeds via the oxidation of enolates followed by the [1,2]-phospha-Brook rearrangement to afford α-oxygenated ester derivatives from easily accessible substrates having high functional group tolerance. In addition, the atom-economical tandem reaction of α-diethylphosphono ester derivatives with oxaziridines, which involves a carbon-carbon forming process in addition to α-oxygenation, was established under the low temperature conditions. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0COA of Formula: C11H14O3).

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

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

Pyrolysis of municipal waste: Effect of waste type and co-pyrolysis on the formation of products and coke over zeolite catalyst was written by Ahmadi, Ayla;Gholizadeh, Mortaza;Fallahi-Samberan, Mehrab;Amirkhani, Leila. And the article was included in Chemical Engineering Research and Design in 2022.Category: esters-buliding-blocks This article mentions the following:

Thermal pyrolysis of different types of wastes including LDPE, carton, tire and poplar wood was conducted to investigate the effect of feedstock on the properties of products. The co-pyrolysis of single feedstocks was also the next trial. Zeolite (A4) was the catalyst. The reason for this was to study the influence of the catalyst on the products and also the effect of feedstock type on the structure of coke. The results showed that the type of feedstock could change the quantity and quality of the products significantly. Considering the average of the properties of the products obtained from the single feedstocks pyrolysis, the specification of the products obtained from the pyrolysis of mixture feedstock showed nonlinear changes. This indicated the cross-interaction of volatiles and non-volatiles through the secondary reactions during the co-pyrolysis process. Depending on the feedstock type, zeolite (A4) had different effects on the pyrolysis process. Zeolite (A4) increased the rate of cracking of large species and also their polymerization, but differently for different feedstocks. The nonlinearity of the change of the properties during the catalytic co-pyrolysis was observed No coke/little amount formed on the surface of the catalyst after the pyrolysis of all types of the feedstocks used. However, the slight deactivation of the catalyst due to the change of the catalyst structure was seen. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Category: esters-buliding-blocks).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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.Category: esters-buliding-blocks

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

Sequential Silylcarbocyclization/Silicon-Based Cross-Coupling Reactions was written by Denmark, Scott E.;Liu, Jack Hung-Chang. And the article was included in Journal of the American Chemical Society in 2007.Formula: C10H14O4 This article mentions the following:

A sequential rhodium-catalyzed silylcarbocyclization of enynes parlayed with a palladium-catalyzed, silicon-based cross-coupling reaction has been developed for the synthesis of highly substituted cyclopentanes. 1,6-Enynes reacted with benzyldimethylsilane in the presence of rhodium catalysts to afford five-membered rings bearing a (Z)-alkylidenylbenzylsilyl group. A variety of substitution patterns and heteroatom substituents were compatible. The silylcarbocyclization in which an unsaturated ester participated was also achieved. The resulting alkylidenylsilanes underwent palladium-catalyzed cross-coupling using tetra-n-butylammonium fluoride. This cross-coupling reaction displayed a broad substrate scope. A wide variety of substitution patterns, electronic properties, and heteroatoms were compatible. All of the cross-coupling reactions proceeded in high yields under very mild conditions and with complete retention of double bond configuration, resulting in densely functionalized 3-(Z)-benzylidenecyclopentanes and heterocycles. 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 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.Formula: C10H14O4

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

Catalytic Enantioselective Synthesis of γ-Lactams with β-Quaternary Centers via Merging of C-C Activation and Sulfonyl Radical Migration was written by Yu, Xuan;Zhang, Zining;Dong, Guangbin. And the article was included in Journal of the American Chemical Society in 2022.Recommanded Product: 98231-07-3 This article mentions the following:

To expand the repertoire of C-C activation, here the discovery of a Rh-catalyzed enantioselective C-C activation involving migration of a sulfonyl radical were described. This reaction directly transforms cyclobutanones containing a sulfonamide-tethered 1,3-diene moiety into γ-lactams containing a β-quaternary center with excellent enantioselectivity. This unusual process involved cleavage of C-C and N-S bonds and subsequent formation of C-N and C-S bonds. The reaction also exhibited broad functional group tolerance and a good substrate scope. A combined exptl. and computational mechanistic study suggested that the reaction goes through a Rh(I)-mediated oxidative addition into the cyclobutanone C-C bond followed by a Rh(III)-triggered N-S bond homolysis and sulfonyl radical migration. In the experiment, the researchers used many compounds, for example, Methyl 3,3-dimethoxycyclobutanecarboxylate (cas: 98231-07-3Recommanded Product: 98231-07-3).

Methyl 3,3-dimethoxycyclobutanecarboxylate (cas: 98231-07-3) 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: 98231-07-3

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

Synthesis and characterization of 2-oxo-3-aryl-succinates was written by Wang, Yajun. And the article was included in Huaxue Yanjiu Yu Yingyong in 2009.Recommanded Product: 587-88-2 This article mentions the following:

Nine new 2-oxo-3-aryl-succinates I (R¹ = EtO, R² = 2-F, 4-F, 2-Cl, 4-Cl, 4-Br, 2-CF₃; R¹ = MeO, R² = 4-Br; R¹ = BnO, R² = H, 2-Cl) were synthesized by condensation reaction between RCH₂COOC₂H₅ and di-Et oxalate under mild reaction conditions in a high yield, and their structures were confirmed by IR and ¹H NMR. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Recommanded Product: 587-88-2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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. 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.Recommanded Product: 587-88-2

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

Well-defined core-shell nanostructural block copolymer supported recyclable Bronsted acidic ionic liquid catalyst for the synthesis of biodiesel was written by Jiang, Jian;Wang, Songmeng;Kong, Yuanfang;Yan, Wei;Chen, Hao;Liu, Lingyan;Chang, Weixing;Li, Jing. And the article was included in European Polymer Journal in 2020.Electric Literature of C14H12S2 This article mentions the following:

A series of Bronsted acidic ionic liquid catalysts was synthesized by anchoring 1-(3-sulfopropyl)pyridinium trifluoromethanesulfonate onto the stable core-shell micelles, which were formed by crosslinking various chain length ratios PS-b-P4VP in toluene with 1,4-dibromobutane. These catalysts display excellent catalytic activity in the esterification or transesterification of palmitic acid or glycerol tripalmitate with methanol or ethanol to synthesize the biodiesel (yield > 99%) in the presence of 4 mol% catalyst loading. Furthermore, the biodiesel yield was maintained about 90% even with a water content of 10 wt% corresponding to the total weight of reaction system. More importantly, these supported catalysts with core-shell structure could be recycled for 5-6 times (5 cycles: yield 89.3%, 6 cycles: yield 84%) only by simple centrifugation without appreciating activity decrease. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Electric Literature of C14H12S2).

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. 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 C14H12S2

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