Tag: 100-200

Syntheses and reactions of thiacyclanone-1,1-dioxides with diazoalkanes was written by Eistert, Bernd;Kueffner, Peter;Arackal, Thommen J.. And the article was included in Chemische Berichte in 1977.Category: esters-buliding-blocks This article mentions the following:

Thiacyclanone oxides I (m = 1, n = 1-5; m = n = 2, 3; m = 2, n = 3) reacted with RCH:N2 (R = H, Me) to give enol ethers II (R = H, Me, n = 1-5), epoxides III (R = H, Me, m = 1, n = 3; R = H: m = n = 2, 3; m = 2, n = 3), β-oxo sulfones IV (R = H, n = 3, 4; R = Me, n = 5) and ring-enlarged oxo sulfones V (R = Me: m = 1, n = 3, 4; m = n = 2; m = 2, n = 3; m = 3, n = 1, 2; R = H, m = n = 3), and VI, depending on the size of the ring and the positions of the CO and SO2 relative to each other. The enol ethers were easily hydrolyzed with mineral acids to form β-oxo sulfones I (m = 1, n = 1-5). In the presence of Lewis acids, N2:CHCO2Et gave II (R = CO2Et, n = 1, 2) and ring enlarged oxo esters V (R = CO2Et: m = 1, n = 1-5; m = 2, 3, n = 3; m = 3, 4, n = 1; m = 3, n =2). Only the γ-oxo sulfone I (m = n = 2) reacted with N2:CHCO2Et to give V (R = CO2Et, m = n = 2) as well as glycidic ester III (R = CO2Et, m = n = 2). The β-oxo esters were hydrolyzed and decarboxylated to give good yields of the oxo sulfones. In the ring expansion of oxo sulfones with RCH:N2 (R = Me, CO2Et), the diazo compound was preferably inserted between C-3 and C-4. In the experiment, the researchers used many compounds, for example, Methyl 2-(methylsulfonyl)acetate (cas: 62020-09-1Category: esters-buliding-blocks).

Methyl 2-(methylsulfonyl)acetate (cas: 62020-09-1) 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. 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.Category: esters-buliding-blocks

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

3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen Mustards was written by Kapou, Agnes;Benetis, Nikolas-P.;Durdagi, Serdar;Nikolaropoulos, Sotiris;Mavromoustakos, Thomas. And the article was included in Journal of Chemical Information and Modeling in 2008.Computed Properties of C10H13NO2 This article mentions the following:

Thirty-eight antileukemic steroidal esters possessing conformationally flexible nitrogen mustards were studied, and the 3D QSAR/CoMFA and CoMSIA methodologies were applied in order to derive the correlation between their structure and the in vivo antileukemic activity. These compounds show significantly reduced toxicity and possibly increased bioavailability compared to free nitrogen mustards and therefore constitute potent antileukemic drugs. Both the CoMFA and CoMSIA studies gave similar results indicating that the steric effect and the hydrophobic/hydrophilic balance especially in the steroidal part of the mols. probably determined their bioactivity. Of paramount interest is the observation that the orientation of the alkylating part of the SMEs toward the surface of ring B of the steroidal skeleton was related with increased activity. Concerning the steroidal part, the presence of hydrophobic groups in rings B and D was found to be important for enhanced activity. Enhancement of antileukemic potency is further observed if hydrophilic/H-bond acceptor groups are present at the positions 7 and 17 of the steroidal skeleton. Leapfrog simulations provided novel compounds which lead our future synthetic endeavor for obtaining SMEs with optimum bioactivity. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Computed Properties of C10H13NO2).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) 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. 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.Computed Properties of C10H13NO2

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

Characterization of the volatile compounds profile of the innovative broken oolong-black tea in comparison with broken oolong and broken black tea was written by Qi, Dandan;Miao, Aiqing;Chen, Wei;Wang, Wenwen;He, Xiugu;Ma, Chengying. And the article was included in Food Control in 2021.Product Details of 706-14-9 This article mentions the following:

Broken oolong-black tea is an innovative tea in China produced by applying characteristic manufacture crafts of broken oolong tea (bruising) and broken black tea (fermentation) on the manufacture of tea and it has both aroma features of broken oolong tea and broken black tea. The aim of this study is to investigate the differences of the volatile compounds among broken oolong-black, broken oolong and broken black tea made by Huangzhixiang (HZX) and Huangdan (HD) varieties by gas chromatog.-mass spectrometry (GC-MS) combined with chemometirc anal. The results suggested significant differences on both aroma quality and volatile compounds profile of three kinds of tea. Chemometric anal. showed that 47 and 52 differential volatile compounds were identified to distinguish three kinds of teas made by HZX and HD, resp., and the differences of volatile compounds among the tea samples were mostly quant. rather than qual. Besides, compounds with floral and fruity aroma increased in broken oolong-black tea compared with the others, while compounds with green aroma decreased in broken oolong-black tea. Quant. descriptive anal. of the aroma showed that sweet aroma was a new trait of broken oolong-black tea compared with broken oolong tea while green aroma disappeared compared with broken black tea. Our results provide the theor. and practical meaning for the application of two characteristic crafts from different tea manufacture on the innovation of tea manufacture In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Product Details of 706-14-9).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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.Product Details of 706-14-9

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

Multivariate Statistical Analysis and Odor-Taste Network To Reveal Odor-Taste Associations was written by Guichard, Elisabeth;Barba, Carmen;Thomas-Danguin, Thierry;Tromelin, Anne. And the article was included in Journal of Agricultural and Food Chemistry in 2020.Quality Control of Methyl2-methylbutyrate This article mentions the following:

Odor-taste association has been successfully applied to enhance taste perception in foods with low sugar or low salt content. Nevertheless, selecting odor descriptors with a given associated taste remains a challenge. In the aim to look for odors able to enhance some specific taste, we tested different multivariate analyses to find links between taste descriptors and odor descriptors, starting from a set of data previously obtained using gas chromatog./olfactometry-associated taste: 68 odorant zones described with 41 odor descriptors and 4 taste-associated descriptors (sweetness, saltiness, bitterness, and sourness). A partial least square anal. allowed for identification of odors associated with a specific taste. For instance, odors described as either fruity, sweet, strawberry, candy, floral, or orange are associated with sweetness, while odors described as either toasted, potato, sulfur, or mushroom are associated with saltiness. A network representation allowed for visualization of the links between odor and taste descriptors. As an example, a pos. association was found between butter odor and both saltiness and sweetness. Our approach provided a visualization tool of the links between odor and taste description and could be used to select odor-active mols. with a potential taste enhancement effect based on their odor descriptors. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Quality Control of Methyl2-methylbutyrate).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Quality Control of Methyl2-methylbutyrate

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

Modular click chemistry libraries for functional screens using a diazotizing reagent was written by Meng, Genyi;Guo, Taijie;Ma, Tiancheng;Zhang, Jiong;Shen, Yucheng;Sharpless, Karl Barry;Dong, Jiajia. And the article was included in Nature (London, United Kingdom) in 2019.Quality Control of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate This article mentions the following:

Alkyl and aryl azides were prepared from the corresponding primary alkyl and aryl amines by reaction with fluorosulfonyl azide generated in situ from a fluorosulfonylimidazolium triflate and sodium azide, expanding access to azides and both to the 1,2,3-triazoles derived from them and to functional screens employing them. The method allowed the preparation of a library of >1000 azides from the corresponding amines; the azide library underwent copper-catalyzed azide-alkyne cycloaddition reactions to yield a library of >1000 1,2,3-triazoles. In the experiment, the researchers used many compounds, for example, Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate (cas: 135908-33-7Quality Control of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate).

Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate (cas: 135908-33-7) 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. Quality Control of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

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

Assessing the volatile profile of carob tree (Ceratonia siliqua L.) was written by Krokou, Andriana;Stylianou, Marinos;Agapiou, Agapios. And the article was included in Environmental Science and Pollution Research in 2019.Related Products of 868-57-5 This article mentions the following:

Biogenic volatile organic compounds (VOCs) contribute to the communication, growth, breeding, and defense of plant; their role in plant kingdom is vital. Carob tree is cultivated mainly in Middle East and eastern European countries (e.g., Spain, Italy, Greece, Cyprus) and lately in Australia, the USA, and South Africa. Therefore, it is examined as a case study for its volatile emissions in the environment. Apart from the VOCs emitted from carob flowers and fruit, carob is considered of great interest for the food industry (carob powder), not only for its health benefits but also due to its characteristic strong aroma, which can be maintained even after processing (roasting). Solid-phase microextraction/gas chromatog.-mass spectrometry (SPME/GC-MS) analyses of carob flowers, fruit, and powder (com. samples) were performed and the detected VOCs are presented and discussed. The most prominent chem. classes emitted from carob fruit and powder appeared to be acids followed by esters and aldehydes/ketones, whereas from carob flowers the terpenoids. The strongest VOCs both in carob fruits and powder were propanoic acid, 2-Me (isobutyric acid) and in flowers ethanol. The uniqueness of carob benefits is well known in the agriculture, pharmaceutical, cosmetic, and food sector and is closely related to the agro-economy and long history of eastern Mediterranean countries. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Related Products of 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) 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.Related Products of 868-57-5

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

Organocatalytic Enantioselective Amination of 2-Substituted Indolin-3-ones: A Strategy for the Synthesis of Chiral α-Hydrazino Esters was written by Yarlagadda, Suresh;Ramesh, B.;Ravikumar Reddy, C.;Srinivas, L.;Sridhar, B.;Subba Reddy, B. V.. And the article was included in Organic Letters in 2017.COA of Formula: C7H8N2O2 This article mentions the following:

An efficient enantioselective α-amination of 2-substituted 3-indolinones has been achieved for the first time using hydroquinidine as a chiral catalyst through an aza-Michael reaction. The desired α-hydrazino esters were obtained in excellent yields with high enantiomeric excess leading to a quaternary stereocenter with a broad substrate scope. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1COA of Formula: C7H8N2O2).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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. 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.COA of Formula: C7H8N2O2

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

Determination of six underivatized biogenic amines by LC-MS/MS and study of biogenic amine production during trout (Salmo trutta) storage in ice was written by Kosma, Ioanna;Badeka, Anastasia. And the article was included in Food Additives & Contaminants, Part A in 2021.Related Products of 868-57-5 This article mentions the following:

Biogenic amines (BAs) are natural components of food produced mainly during metabolism in animals and plants. The determination of BAs is important because of their potential toxicity and their potential use as food spoilage indicators. In the present study, a method for the determination of six BAs (putrescine, cadaverine, histamine, β-phenylethylamine, tyramine, and tryptamine) by Liquid Chromatog. – Tandem Mass Spectrometry (LC-MS/MS) with Atm. Pressure Chem. Ionisation (APCI) source has been used on trout samples (Salmo trutta) stored in ice for 15 days. The results showed that on day 15 quite large amounts of putrescine (76.530 mg/kg), cadaverine (85.530 mg/kg), tryptamine (25.210 mg/kg), and histamine (15.975mg/kg) were detected, while the other BAs remained low (β-phenylethylamine: 3.230 mg/kg, tyramine: 0.165mg/kg). Furthermore, microbiol. data (Total Vial Count- TVC, pseudomonas spp, and Shewanella putrefaciens) showed that trout samples became organoleptically unacceptable on day 12, while volatile compound anal. showed a significant increase in total amounts of alcs., aldehydes, and ketones on days 12 and 15. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Related Products of 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Related Products of 868-57-5

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

Key Food Furanones Furaneol and Sotolone Specifically Activate Distinct Odorant Receptors was written by Haag, Franziska;Hoffmann, Sandra;Krautwurst, Dietmar. And the article was included in Journal of Agricultural and Food Chemistry in 2021.Name: 5-Hexyldihydrofuran-2(3H)-one This article mentions the following:

Furanones formed during the Maillard reaction often are natural aroma-determining compounds found in numerous foods. Prominent economically relevant representatives are the structural homologues Furaneol and sotolone, which are important natural flavoring compounds because of their distinct caramel- and seasoning-like odor qualities. These, however, cannot be predicted by the odorants’ mol. shape, rather their receptors’ activation parameters help to decipher the encoding of odor quality. Here, the distinct odor qualities of Furaneol and sotolone suggested an activation of at least two out of our ca. 400 different odorant receptor types, which are the mol. biosensors of our chem. sense of olfaction. While an odorant receptor has been identified for sotolone, a receptor specific for Furaneol has been elusive. Using a bidirectional screening approach employing 616 receptor variants and 187 key food odorants in a HEK-293 cell-based luminescence assay, we newly identified OR5M3 as a receptor specifically activated by Furaneol and homofuraneol. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Name: 5-Hexyldihydrofuran-2(3H)-one).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. 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.Name: 5-Hexyldihydrofuran-2(3H)-one

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

Electronic Cigarette Refill Fluids Sold Worldwide: Flavor Chemical Composition, Toxicity, and Hazard Analysis was written by Omaiye, Esther E.;Luo, Wentai;McWhirter, Kevin J.;Pankow, James F.;Talbot, Prue. And the article was included in Chemical Research in Toxicology in 2020.Reference of 118-61-6 This article mentions the following:

Flavor chems. in electronic cigarette (EC) fluids, which may neg. impact human health, have been studied in a limited number of countries/locations. To gain an understanding of how the composition and concentrations of flavor chems. in ECs are influenced by product sale location, we evaluated refill fluids manufactured by one company (Ritchy LTD) and purchased worldwide. Flavor chems. were identified and quantified using gas chromatog./mass spectrometry (GC/MS). We then screened the fluids for their effects on cytotoxicity (MTT assay) and proliferation (live-cell imaging) and tested authentic standards of specific flavor chems. to identify those that were cytotoxic at concentrations found in refill fluids. A total of 126 flavor chems. were detected in 103 bottles of refill fluid, and their number per/bottle ranged from 1-50 based on our target list. Two products had none of the flavor chems. on our target list, nor did they have any nontargeted flavor chems. A total of 28 flavor chems. were present at concentrations ≥1 mg/mL in at least one product, and 6 of these were present at concentrations ≥10 mg/mL. The total flavor chem. concentration was ≥1 mg/mL in 70% of the refill fluids and ≥10 mg/mL in 26%. For sub-brand duplicate bottles purchased in different countries, flavor chem. concentrations were similar and induced similar responses in the in vitro assays (cytotoxicity and cell growth inhibition). The levels of furaneol, benzyl alc., ethyl maltol, Et vanillin, corylone, and vanillin were significantly correlated with cytotoxicity. The margin of exposure calculations showed that pulegone and estragole levels were high enough in some products to present a nontrivial calculated risk for cancer. Flavor chem. concentrations in refill fluids often exceeded concentrations permitted in other consumer products. These data support the regulation of flavor chems. in EC products to reduce their potential for producing both cancer and noncancer toxicol. effects. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Reference of 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. 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.Reference of 118-61-6

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