Tag: 100-200

Combinatorial Discovery of Fluorescent Pharmacophores by Multicomponent Reactions in Droplet Arrays was written by Burchak, Olga N.;Mugherli, Laurent;Ostuni, Mariano;Lacapere, Jean Jacques;Balakirev, Maxim Y.. And the article was included in Journal of the American Chemical Society in 2011.Application In Synthesis of Methyl 2-aminonicotinate This article mentions the following:

Fluorescence imaging in clin. diagnostics and biomedical research relies to a great extent on the use of small organic fluorescent probes. Because of the difficulty of combining fluorescent and mol.-recognition properties, the development of such probes has been severely restricted to a number of well-known fluorescent scaffolds. Here we demonstrate that autofluorescing druglike mols. are a valuable source of bioimaging probes. Combinatorial synthesis and screening of chem. libraries in droplet microarrays allowed the identification of new types of fluorophores. Their concise and clean assembly by a multicomponent reaction presents a unique potential for the one-step synthesis of thousands of structurally diverse fluorescent mols. Because they are based upon a druglike scaffold, these fluorophores retain their mol. recognition potential and can be used to design specific imaging probes. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Application In Synthesis of Methyl 2-aminonicotinate).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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 Methyl 2-aminonicotinate

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

Development of ELISAs for the class-specific determination of organophosphorus pesticides was written by Piao, Yuan Zhe;Kim, Yoo Jung;Kim, Young Ah;Lee, Hye-Sung;Hammock, Bruce D.;Lee, Yong Tae. And the article was included in Journal of Agricultural and Food Chemistry in 2009.Application of 28478-46-8 This article mentions the following:

Enzyme-linked immunosorbent assays (ELISAs) for the class-specific determination of organophosphorus (OP) pesticides were developed from monoclonal antibodies raised against haptens with the functional group common to OP pesticides. To develop antigen-coated, indirect, competitive ELISAs, four haptens with different spacer arm structures were used to prepare antibodies, while eight haptens were tested for use as coating antigens. A total of 32 ELISAs were developed with one selected as the most suitable one based on average IC₅₀ and % CV values. The chosen ELISA showed class-selective response to O,O-di-Et phosphorothioate and phosphorodithioate OP pesticides with negligible cross-reactivity to other types of pesticides. Average IC₅₀ and % CV values of this ELISA for the 12 OP pesticides were 89 ng/mL and 96%, resp. Compared to ELISAs previously developed with the same objective, the current ELISA demonstrates better sensitivity based on much lower mean IC₅₀ values in addition to improved class-selective determination based on considerably lower % CV values as well as precise discrimination against other types of pesticides. In the experiment, the researchers used many compounds, for example, Methyl 4-Hydroxy-2-methoxybenzoate (cas: 28478-46-8Application of 28478-46-8).

Methyl 4-Hydroxy-2-methoxybenzoate (cas: 28478-46-8) 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. Esters contain a carbonyl center, which gives rise to 120掳 C鈥揅鈥揙 and O鈥揅鈥揙 angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C鈥揙鈥揅 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 28478-46-8

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

Chiral Phosphoric Acid-Catalyzed Enantio- and Diastereoselective Allylboration of Aldehydes with 尾,纬-Substituted Allylboronates was written by Yuan, Jinping;Jain, Pankaj;Antilla, Jon C.. And the article was included in Journal of Organic Chemistry in 2022.Application In Synthesis of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate This article mentions the following:

The catalytic asym. addition of 尾,纬-substituted allylboronates to aldehydes was described. Promoted by 5 mol % chiral H₃PO₄, the reactions were broadly applicable, scalable, and efficient, allowing for the formation of 3,4-anti/syn-homoallylic alcs. bearing adjacent tertiary or quaternary stereogenic centers in a highly enantio- and diastereoselective manner (鈮?9% ee and dr >20:1). The rigid chair-like transition state involving the chiral H₃PO₄ contributed to the highly controlled reaction. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Application In Synthesis of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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. 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 In Synthesis of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate

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

1,6-Heptadiynes disubstituted at position 4 by acetyl, ethoxycarbonyl, and nitrile groups was written by Plouin, Dominque;Glenat, Rene. And the article was included in Comptes Rendus des Seances de l’Academie des Sciences, Serie C: Sciences Chimiques in 1972.Recommanded Product: Diethyl 2-(prop-2-yn-1-yl)malonate This article mentions the following:

The title compounds, RR1C(CH2C顚咰H)2 (I), were prepared in 84-92% yields by condensing HC顚咰CH2Br with CH2RR1 in K2CO3-Me2CO. The formation of minor products, substituted furans, and MeCOCH(CH2C顚咰H)2, was discussed. Four I (R = COMe, CO2Et; R1 = COMe, CO2Et, CN) were prepared In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Recommanded Product: Diethyl 2-(prop-2-yn-1-yl)malonate).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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.Recommanded Product: Diethyl 2-(prop-2-yn-1-yl)malonate

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

In vitro and in silico genetic toxicity screening of flavor compounds and other ingredients in tobacco products with emphasis on ENDS was written by Hung, Pei-Hsuan;Savidge, Matthew;De, Mamata;Kang, Jueichuan;Healy, Sheila M.;Valerio, Luis G. Jr.. And the article was included in Journal of Applied Toxicology in 2020.Product Details of 659-70-1 This article mentions the following:

Electronic nicotine delivery systems (ENDS) are regulated tobacco products and often contain flavor compounds Given the concern of increased use and the appeal of ENDS by young people, evaluating the potential of flavors to induce DNA damage is important for health hazard identification. In this study, alternative methods were used as prioritization tools to study the genotoxic mode of action (MoA) of 150 flavor compounds In particular, clastogen-sensitive (纬H2AX and p53) and aneugen-sensitive (p-H3 and polyploidy) biomarkers of DNA damage in human TK6 cells were aggregated through a supervised three-pronged ensemble machine learning prediction model to prioritize chems. based on genotoxicity. In addition, in silico quant. structure-activity relationship (QSAR) models were used to predict genotoxicity and carcinogenic potential. The in vitro assay identified 25 flavors as pos. for genotoxicity: 15 clastogenic, eight aneugenic and two with a mixed MoA (clastogenic and aneugenic). Twenty-three of these 25 flavors predicted to induce DNA damage in vitro are documented in public literature to be in e-liquid or in the aerosols produced by ENDS products with youth-appealing flavors and names. QSAR models predicted 46 (31%) of 150 compounds having at least one pos. call for mutagenicity, clastogenicity or rodent carcinogenicity, 49 (33%) compounds were predicted neg. for all three endpoints, and remaining compounds had no prediction call. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Product Details of 659-70-1).

Isopentyl 3-methylbutanoate (cas: 659-70-1) 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.Product Details of 659-70-1

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

Effects of modified atmosphere and sugar immersion on physiology and quality of fresh-cut ‘Braeburn’ apples was written by Rux, G.;Bohne, K.;Huyskens-Keil, S.;Ulrichs, Ch.;Hassenberg, K.;Herppich, W. B.. And the article was included in Food Packaging and Shelf Life in 2021.Safety of Methyl2-methylbutyrate This article mentions the following:

Fresh-cut fruits are highly perishable and show a short shelf life. Therefore, storage in sugar syrup is com. used to delay undesirable metabolic changes and to prevent browning. Investigations on the effects of syrup application on volatile organic compounds (VOCs), important for the consumers’ acceptance, are rare. It is, however, known that low O₂ availability, as found in fruit slices after immersion, may result in the formation of unwanted off-odor. This neg. affects the sensory quality of fresh-cuts. In the present study, fresh-cut ‘Braeburn’ apples were comparatively stored in air, in three modified atmospheres (O₂: 10, 5 and approx. 0%; CO₂: 10, 15 and 20%) or in sugar syrup (20% sugar content). Relevant quality, physiol. and microbiol. parameters were evaluated on days 3, 6 and 10 of storage. Particular focus was laid on the evaluation of VOC emission to indicate biosynthetic responses that affect aroma-relevant VOCs. Atm. storage of apple slices, among others, increased the emission of Et acetate, which may create off-odor and neg. affects the customers’ acceptance. In contrast, syrup-immersion of apple slices resulted in a pronounced loss of aroma but prevented the occurrence of off-odor. The results indicated metabolic changes, which were independent of O₂ availability. High CO₂ or VOCs concentrations in the fruit tissue may inhibit esterification or may induce a feedback inhibition of VOC synthesis. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Safety of Methyl2-methylbutyrate).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Safety of Methyl2-methylbutyrate

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

Dynamic combinatorial chemistry to identify binders of ThiT, an S-component of the energy-coupling factor transporter for thiamin was written by Monjas, Leticia;Swier, Lotteke J. Y. M.;Setyawati, Inda;Slotboom, Dirk J.;Hirsch, Anna K. H.. And the article was included in ChemMedChem in 2017.Reference of 19432-68-9 This article mentions the following:

We applied dynamic combinatorial chem. (DCC) to identify ligands of ThiT, the S-component of the energy-coupling factor (ECF) transporter for thiamin in Lactococcus lactis. We used a pre-equilibrated dynamic combinatorial library (DCL) and saturation-transfer difference (STD) NMR spectroscopy to identify ligands of ThiT. This is the 1st report in which DCC has been used for fragment growing to an ill-defined pocket, and one of the 1st reports for its application with an integral membrane protein as target. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Reference of 19432-68-9).

Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 19432-68-9

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

Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction was written by Shen, Qilong;Hammond, Gerald B.. And the article was included in Journal of the American Chemical Society in 2002.Computed Properties of C10H14O4 This article mentions the following:

The synthesis of functionalized gem-difluoroallenes served as a platform for an unprecedented molybdenum-catalyzed intramol. allene-alkyne [2+2]-cycloaddition that produced difluorobicyclooctadienes, a hitherto unknown class of bicyclo- and heterobicyclo-CF₂-containing cyclobutenes. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Computed Properties of 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. 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 C10H14O4

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

Stereospecific synthesis of chiral tertiary alkyl aryl ethers via Mitsunobu reaction with complete inversion of configuration was written by Shi, Yao-Jun;Hughes, David L.;McNamara, James M.. And the article was included in Tetrahedron Letters in 2003.Recommanded Product: 19444-23-6 This article mentions the following:

Mitsunobu reaction of (S)-EtCMe(OH)COOMe with 4-(benzyloxy)phenol provides (R)-4-PhCH₂OC₆H₄OCMeEtCOOMe in moderate yield at elevated temperatures (80-100掳). The S_N2 displacement pathway is evident by complete inversion of the (S)-alc. to the (R)-ether. Several analogous reactions were also performed. In the experiment, the researchers used many compounds, for example, Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6Recommanded Product: 19444-23-6).

Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6) 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.Recommanded Product: 19444-23-6

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

Chemistry of natural substances. VII. Furoquinoline derivatives by condensation of ethyl 2-propynyl malonate with aromatic amines was written by Reisch, Johannes. And the article was included in Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft in 1967.Category: esters-buliding-blocks This article mentions the following:

Under the reaction conditions which are stated by Baker, Lappin, and Riegel (1946) for the preparation of 3-substituted 4-hydroxyquinolin-2-one, malonic acid diarylamides and not 4-hydroxyquinolinones were obtained. By variation of the synthesis from prop-2-ynylmallonic ester and PhNH2 or MeOC5H4-NH2 resp. 5′-methylnordictamine and 5′-methylnorpseudodictaamine or 5′-methylnorfagarine (Ia) and 5′-methylnorpseudofagarine (Ib) resp. were prepared (Method A) A mixture of 11 g. di-Et prop-2-ynylmalonate (I) and 4.7 g. PhNH2 in 25 ml. Ph2O were refluxed 1 hr. to give 66% prop-2-ynylmalonic acid (II) dianilide (IIa), m. 217掳 (EtOH). (Method B). To 3.8 g. freshly distilled PHNH2 in 150 ml. absolute Et2O was dropped 2 g. prop-2-ynylmalonic acid dichloride in 20 ml. Et2O with stirring and ice cooling to obtain 90% IIa. According to method A was prepared 48% of the corresponding di-O-anisidide, m. 147掳 (EtOH) of II; 54% of the cyclohexylmalonic acid (III) dianilide, m. 303掳 (EtOH) and from 6.65 g. di-Et cyclohexylmalonate (IV) and 3.1 g. p-MeOC6H4NH2, 3 g. di-p-anisidide derivative, m. 289-90掳 (EtOH) of III, beside 1 g. p-anisidide Et ester derivative, m. 158-60掳 (aqueous EtOH) of III. Heating 6 g. di-Et propylmalonate and 6 g. PhNH2 1 hr. at 190-200掳 gave 50% propylmalonic acid dianilide (V), m. 200掳 (EtOH). Hydrogenation of IIa in 80% MeOH at 0掳 and 760 mm. gave V quant. A mixture of 6.65 g. IV and 2.32 g. PhNH2 in 12.5 ml. Ph2O was heated on the descending cooler until 2.5 ml. EtOH was distilled to give 83% 3-cyclohexyl-4-hydroxy-2(1H)-quinolinone (VI), m. 238-4掳 (EtOH). Analogously prepared were 90% 6-methoxy derivative m. 235-6掳 (EtOH), of VI, and 3-propyl-4-hydroxy-2(1H)quinolinone, m. 235掳. A mixture of 22 g. I and 9.3 g. PhNH2 in 50 ml. was heated on the descending cooler until 10 ml. EtOH was distilled to obtain 74% 2-methylfuro[3,2-c]quinolinone (VII), identified by ir spectroscopy. Also obtained was 16% 2-methylfuro[2,3-b]quinolin-4-one (VIII), m. 275掳 (HCONMe2H2O). Analogously were prepared 74% Ib m. 248-52掳 (sublimes), and 13.5% Ia, m. 261掳. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Category: esters-buliding-blocks).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 纬-valerolactone.Category: esters-buliding-blocks

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