Esters-buliding-blocks

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

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

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

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

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

Tailored Polymers To Probe the Nature of the Bioelectrochemical Interface was written by Ryder, K. S.;Morris, D. G.;Cooper, J. M.. And the article was included in Langmuir in 1996.Electric Literature of C8H11NO2 This article mentions the following:

A range of pyrrole monomers with carboxyl derivatives both at the N-, and β-ring positions were synthesized and, subsequently, were polymerized electrochem. at carbon, gold, and platinum electrodes. The resulting polymers, which were characterized with both electrochem. and spectroscopic methods, were then used to investigate the importance of polymer oxidation potential, polymer functionality, and backbone conductivity on the redox interaction with the small redox protein, cytochrome c. By choosing monomer substituents with varying side-chain length and steric bulk, it was possible to probe the nature of the protein-polymer interaction and to show how the heterogeneous rate constants, k_s, as an estimate for electron exchange between the electrode functionalized poly(pyrroles) and the protein, varied as a consequence of the structure of the matrix. The method provides a novel route for the modification of a wide range of conducting surfaces for the study of biol. interfacial reactions, particularly those involving biomol. recognition. In the experiment, the researchers used many compounds, for example, Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7Electric Literature of C8H11NO2).

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7) 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. 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.Electric Literature of C8H11NO2

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

Mass spectrums and features of fragmentation of some 2-substituted thiophenes was written by Zhumagaliev, S. Zh.;Saginayev, A T.;Abilkhairov, A. I.;Serikov, T. P.. And the article was included in Izvestiya Natsional’noi Akademii Nauk Respubliki Kazakhstan, Seriya Khimii i Tekhnologii in 2015.Category: esters-buliding-blocks This article mentions the following:

We studied the mass spectra of some 2-substituted thiophenes with various substituents: R (I-XIX), where R is the I: -CH2OH; II: -Cl; III: -CH2C≡N; IV: -C (O) NH2; V: -C (O) OH; VI: -NH-C (O) CH3; VII: -C (O) NH -NH2; VIII: -CH2C (O) OH; IX: -C (O) OCH3; X: -CH = CH-C (O) OH; XI: -CH2C (O) OCH3; XII: -C (NH2) C (O) OH; XIII: -CH = N-NH-C (O) NH2; XIV: -CH2C (O) OC2H5; XV: -CH2C (O) OCH (CH3)2; XVI: -CH = N-NH-C (S) NH2; XVII: -CH2C (O) OC4H7; XVIII: -CH2C (O) OC4H9; XIX: -CH2-NH-C (O) (CH2) 2C (O) OH. The peculiarities of the fragmentation of the mol. ion (MI), depending on the nature of the substituent. The basic characteristic directions of the decay MI studied 2-substituted thiophene (I-XIX). Based on the anal. of mass spectra of nineteen 2-substituted thiophene it was possible to derive a number of rules of thumb that allow to correlate the structure of the compound to its fragmentation. Sulfonium intensity peak (m/z of 97), the maximum in the case where the thiophene ring linked ester or acidic moiety by methylene substituent (VIII, XI, XIV, XV, XVII, XVIII). Maximum peak oxonium ion with m/z 111 in the mass spectra (IV, V, VII, IX) is due to rupture of β-connection when a thiophene ring substituent is bonded through karonilom. In tension peaks (m/z of 85) are observed in the case where there are atoms of hydrogen β and γ-positions of substituents with respect to sulfurthiophenyl (I, 81%; XII, 42%; XIX 21%); this peak is completely absent in the other 2-substituted thiophene (II-XI, XIII-XVIII). Ion (with m/z 85) is relatively stable (proton embedded) thiophenecation ([C4H4 SH] +), which is involved in the formation of the double migration of hydrogen substituents. In cases where when the 2-substituted thiophene substituents are electron-acceptor (-Cl, COOH, C = O) in the mass spectra of ions are significant peaks thiophenyl (cm/z 83) (II, IV, V, VII, IX). Finally, the fact that the mass spectra contained thioformilnyion peak of m/z 45, indicates that at least one of the atoms C2 and C5 thiophenyl bound to a hydrogen atom. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Category: esters-buliding-blocks).

Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Category: esters-buliding-blocks

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

Straightforward access to N-trifluoromethyl amides, carbamates, thiocarbamates and ureas was written by Scattolin, Thomas;Bouayad-Gervais, Samir;Schoenebeck, Franziska. And the article was included in Nature (London, United Kingdom) in 2019.Electric Literature of C14H11NOS This article mentions the following:

Amides and related carbonyl derivatives are of central importance across the phys. and life sciences^1,2. As a key biol. building block, the stability and conformation of amides affect the structures of peptides and proteins as well as their biol. function. In addition, amide-bond formation is one of the most frequently used chem. transformations^3,4. Given their ubiquity, a technol. that is capable of modifying the fundamental properties of amides without compromising on stability may have considerable potential in pharmaceutical, agrochem. and materials science. In order to influence the phys. properties of organic mols.-such as solubility, lipophilicity, conformation, pK_a and (metabolic) stability-fluorination approaches have been widely adopted^5-7. Similarly, site-specific modification with isosteres and peptidomimetics⁸, or in particular by N-methylation⁹, has been used to improve the stability, phys. properties, bioactivities and cellular permeabilities of compounds However, the N-trifluoromethyl carbonyl motif-which combines both N-methylation and fluorination approaches-has not yet been explored, owing to a lack of efficient methodol. to synthesize it. Here the authors report a straightforward method to access N-trifluoromethyl analogs of amides and related carbonyl compounds The strategy relies on the operationally simple preparation of bench-stable carbamoyl fluoride building blocks, which can be readily diversified to the corresponding N-CF₃ amides, carbamates, thiocarbamates and ureas. This method tolerates rich functionality and stereochem., and the authors present numerous examples of highly functionalized compounds-including analogs of widely used drugs, antibiotics, hormones and polymer units. In the experiment, the researchers used many compounds, for example, 3-Benzyloxyphenylisothiocyanate (cas: 206559-36-6Electric Literature of C14H11NOS).

3-Benzyloxyphenylisothiocyanate (cas: 206559-36-6) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. 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 C14H11NOS

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

A DNA-derived phage nose using machine learning and artificial neural processing for diagnosing lung cancer was written by Lee, Jong-Min;Choi, Eun Jeong;Chung, Jae Heun;Lee, Ki-wook;Lee, Yujin;Kim, Ye-Ji;Kim, Won-Geun;Yoon, Seong Hoon;Seol, Hee Yun;Devaraj, Vasanthan;Ha, Jong Seong;Lee, Donghan;Kwon, Sang-Mo;Kim, Yun Seong;Chang, Chulhun L.;Oh, Jin-Woo. And the article was included in Biosensors & Bioelectronics in 2021.Application of 695-06-7 This article mentions the following:

There is a growing interest in electronic nose-based diagnostic systems that are fast and portable. However, existing technologies are suitable only for operation in the laboratory, making them difficult to apply in a rapid, non-face-to-face, and field-suitable manner. Here, we demonstrate a DNA-derived phage nose (D²pNose) as a portable respiratory disease diagnosis system requiring no pretreatment. D2pNose was produced based on phage color films implanted with DNA sequences from mammalian olfactory receptor cells, and as a result, it possesses the comprehensive reactivity of these cells. The manipulated surface chem. of the genetically engineered phages was verified through a correlation anal. between the calculated and the exptl. measured reactivity. Breaths from 31 healthy subjects and 31 lung cancer patients were collected and exposed to D²pNose without pretreatment. With the help of deep learning and neural pattern separation, D2pNose has achieved a diagnostic success rate of over 75% and a classification success rate of over 86% for lung cancer based on raw human breath. Based on these results, D2pNose can be expected to be directly applicable to other respiratory diseases. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Application of 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esters 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 of 695-06-7

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

Relationship between the effects on bactericidal activity of selected disinfectants and the hydrophobic characters of dibasic acid diesters was written by Furuta, Taro;Kihara, Koji. And the article was included in Chemical & Pharmaceutical Bulletin in 1992.Application of 1190-39-2 This article mentions the following:

Test solutions which contained 80% EtOH and 0.2% chlorhexidine (CH) or benzalkonium chloride (BC) were prepared with or without a dibasic acid diester. After complete evaporation of the EtOH from the solution on filter paper, an overnight broth culture (Staphylococcus aureus) was repeatedly inoculated onto the filter paper and viable bacterial counts were measured at 5 min after the last inoculation. By comparison with viable counts for CH or BC alone, the potentiating effects of dibasic acid diesters on the bactericidal activity of CH or BC were estimated The activity of the 2 disinfectants was potentiated in the presence of certain homologs of di-n-Bu esters of aliphatic dibasic acids and di-alkyl esters of adipic and phthalic acids. Diisobutyl adipate, one of the most effective diesters, substantially enhanced the bactericidal activities of benzethonium chloride, cetyl pyridinium chloride, and didecyl di-Me ammonium chloride, as well as CH and BC, but not those of polyhexamethylene biguanide or alkyldiaminoethyl glycinate. The potentiating effects of dibasic acid diesters observed for both CH and BC seemed to be affected by the hydrophobic character of these diesters themselves and are also expressed well by a particular quadratic equation as a function of these characters: namely, capacity factors, as determined by HPLC. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Application of 1190-39-2).

malonic acid dibutyl ester (cas: 1190-39-2) 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. 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.Application of 1190-39-2

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