Tag: 100-200

Synthesis, Coordination Chemistry and Anion Binding by a Cyanophenyl-Substituted 2-Pyridinylurea was written by Moyaert, Tristen;Schroeder, Zachary W.;Dawe, Louise N.. And the article was included in European Journal of Inorganic Chemistry in 2018.SDS of cas: 16413-26-6 This article mentions the following:

The design and synthesis of urea-based systems suitable for selective anion recognition demonstrated potential for environmental remediation. These systems act as a double hydrogen-bond donor to anion acceptors, however, the availability of the carbonyl group to also act as a hydrogen-bond acceptor has posed as an optimization challenge. One approach to address this obstacle is to design preorganized coordination complexes that decrease the accessibility of the carbonyl group, yet are still capable of anionic hydrogen bonding by secondary coordination. Herein, a new 2-pyridinylurea ligand, N-(3-cyanophenyl)-N’-pyridin-2-ylurea (L1), and its transition metal complexes, [(L1)₂Ni(CH₃OH)₂](NO₃)₂, [(L1)₂Co(CH₃OH)₂](NO₃)₂, [(L1)₂Ni(H₂O)₂](NO₃)₂ and [(L1)₂Cu(ClO₄)₂]_n were reported. Subtle changes in metal-to-ligand ratio and solvent conditions yielded dramatically different anion-binding motifs for two Ni²⁺ complexes, while bis-metal coordination of a perchlorate anion in the Cu²⁺ complex resulted in hydrogen bonding with the weakest available ligand acceptor. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6SDS of cas: 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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.SDS of cas: 16413-26-6

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

Valorisation of Roman chamomile (Chamaemelum nobile L.) herb by comprehensive evaluation of hydrodistilled aroma and residual non-volatile fractions was written by Baranauskiene, Renata;Venskutonis, Petras Rimantas;Ragazinskiene, Ona. And the article was included in Food Research International in 2022.Computed Properties of C12H20O2 This article mentions the following:

Valorization of botanicals for the development of natural food-grade ingredients is an important task in terms of sustainability and processing waste reduction In this study, Roman chamomile (Chamaemelum nobile L.) herb was collected at six different vegetation phases in the period 26 May – 23 August 2019 and subjected to biorefining into the several valuable fractions. The yield of hydro-distilled essential oil (EO) was in the range of 0.22% (intensive vegetative growth) to 0.80% (full flowering). Angelic, isobutyric, butyric and methacrylic acid esters and some monoterpene and sesquiterpene derivatives were the major EO constituents: 3-methylpentyl angelate (20.11-27.56%), methallyl angelate (7.28-10.33%), isoamyl angelate (5.57-9.02%), iso-Bu angelate (4.84-6.79%), 2-methylbutyl angelate (3.11-6.32%), 3-methylamyl methacrylate (5.04-6.17%), 3-methylpentyl isobutyrate (4.29-6.64%), 3-methylamyl isobutyrate (4.29-6.64%), α-pinene (1.61-6.37%) and pinocarvone (1.46-4.67%). In order to valorize water soluble and solid EO distillation residues their antioxidant potential was evaluated by several in vitro assays: water extracts were considerably stronger antioxidants than acetone extracts isolated from the solid residues. Water extracts of the plants collected at flowering phases were the strongest antioxidants; their TPC, FRAP and ORAC values were up to 143.2 mg gallic acid equivalent/g, 650, and 5601 μmol TE/g dry extract, resp., while effective concentrations (EC50) of DPPH• and ABTS•+ scavenging, were down to 0.59 and 0.49 mg/mL, resp. Among 7 tentatively identified by UPLC/Q-TOF/MS phenolic constituents the intensity of mol. ion of 3,5-dicaffeoyl quinic acid was the largest. The results obtained may assist for developing flavorings, antioxidants and health beneficial preparations from C. nobile extracts In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Computed Properties of C12H20O2).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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. 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.Computed Properties of C12H20O2

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

Banana liqueur: Optimization of the alcohol and sugar contents, sensory profile and analysis of volatile compounds was written by de Jesus Filho, Milton;do Carmo, Laisa Bernabe;Della Lucia, Suzana Maria;Saraiva, Sergio Henriques;Costa, Adilson Vidal;Osorio, Vanessa Moreira;Teixeira, Luciano Jose Quintao. And the article was included in LWT–Food Science and Technology in 2018.Computed Properties of C10H20O2 This article mentions the following:

The objective of this study was to evaluate the acceptability of liqueur based on its sensory profile, physicochem. composition and presence of the volatile compounds responsible for the aroma of the banana and banana liqueur. Sensory acceptance was conducted to investigate the effect of alc. content of the extracting solution on produced liqueurs. In addition, liqueurs were elaborated using different contents of alc. and sugar, which were evaluated as for pH, soluble solids, refractive index, d., absorbance, colorimetric parameters, besides the sensory anal. to judge the overall impression and the purchase intention of the products. A sensory characterization of the samples was performed by the Optimized Descriptive Profile (ODP) method. The volatile compounds were determined by solid phase microextraction and injected into the gas chromatograph coupled to the mass spectrometer. Adjusted models showed that the alc. content of 61.87 °GL of the extractive solution and alc. (17.29 °GL) and sugar (289.89 g L^-1) content of the final product may show greater acceptance and intention to purchase banana liqueur. In the ODP, the samples differed based on their adherence, alc. aroma, alc. taste and sweet taste. Volatile compounds characterized as esters were found on the banana and liqueur. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Computed Properties of C10H20O2).

Isopentyl 3-methylbutanoate (cas: 659-70-1) 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.Computed Properties of C10H20O2

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

Visible-Light-Promoted Aerobic Oxyphosphorylation of α-Diazoesters with H-Phosphine Oxides was written by Zhou, Hongyan;Wang, Ganggang;Wang, Cunhui;Yang, Jingya. And the article was included in Organic Letters in 2022.COA of Formula: C7H8O2S This article mentions the following:

A visible-light-promoted aerobic oxyphosphorylation of α-diazoesters and H-phosphine oxides was developed. Using air as the O source, the reaction proceeded smoothly at room temperature under blue-light irradiation The α-diazoesters, O₂, and H-phosphine oxides are conveniently incorporated into a C-O-P(O) unit in one step. The preliminary mechanistic studies indicated that a light-triggered radical process is involved. The developed strategy shows the unrevealed reactivity of diazo compounds with H-phosphine oxides and has potential value in synthetic applications. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9COA of Formula: C7H8O2S).

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.COA of Formula: C7H8O2S

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

Differentiation of fresh and processed fruit juices using volatile composition was written by Perestrelo, Rosa;Silva, Catarina;Silva, Pedro;Medina, Sonia;Camara, Jose S.. And the article was included in Molecules in 2019.HPLC of Formula: 868-57-5 This article mentions the following:

In the current study, a comprehensive approach based on headspace solid-phase microextraction (HS-SPME), combined with gas chromatog.-quadrupole mass spectrometry (GC-qMS), was used to establish the volatile signature of fresh and processed fruit juices, obtained from the same batch of grapes, red fruits, orange, pear, and apple. This is a powerful tool for evaluating the impact of the production process on the volat. pattern of fruit juice. A total of 169 volatile organic compounds (VOCs) belonging to different chem. groups were identified. Esters, carbonyl compounds, terpenoids, and alcs. are the major chem. groups in the investigated fruit juices. However, their contribution to the total volatile profile varied. Special attention should be paid to processed fruit juices to avoid the possible deleterious effects associated with the formation of furanic compounds (e.g., heat treatment), since their furanic content was significantly higher in comparison to that of fresh fruit juices. The knowledge obtained in the current study will allow for the introduction of modifications to the process involved in processing juice, which will improve the organoleptic characteristics of processed juices, contributing to a better acceptance by consumers. Furthermore, more assays should be performed to assess the effect of harvests, geog., and agronomy on the volatile profile of juices. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5HPLC of Formula: 868-57-5).

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. 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.HPLC of Formula: 868-57-5

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

Synthesis and evaluation of pyrazolidine derivatives as dipeptidyl peptidase IV (DP-IV) inhibitors was written by Ahn, Jin Hee;Kim, Jin Ah;Kim, Hye-Min;Kwon, Hyuk-Man;Huh, Sun-Chul;Rhee, Sang Dal;Kim, Kwang Rok;Yang, Sung-Don;Park, Sung-Dae;Lee, Jae Mok;Kim, Sung Soo;Cheon, Hyae Gyeong. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2005.HPLC of Formula: 16413-26-6 This article mentions the following:

A new series of pyrazolidine derivatives was synthesized and evaluated for their ability to inhibit dipeptidyl peptidase IV (DP-IV). The most active compound (I) in this series, exhibited IC₅₀ value of 1.56 μM and ED₅₀ value of 80 mg/kg (in vivo DP-IV inhibition; po). In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6HPLC of Formula: 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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.HPLC of Formula: 16413-26-6

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

Quantitative evaluation of the conjugation effect in the hydrolysis of para-substituted aromatic acid esters was written by Pritykin, L. M.;Selyutin, O. B.;Nikolaev, A. L.. And the article was included in Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) in 1999.Product Details of 587-88-2 This article mentions the following:

The rate constants of alk. and acid hydrolysis of 10 series of para-substituted benzoic, cinnamic, phenylpropynoic, biphenylcarboxylic, phenylacetic, and 3-phenylpropionic acids linearly correlate with the population of the p_z-orbital of the phenylene C atom bearing the substituent. This parameter can be regarded as a quant. measure of the conjugation effect. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Product Details of 587-88-2).

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

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

SAR study of bicyclo[4.1.0]heptanes as melanin-concentrating hormone receptor R1 antagonists: Taming hERG was written by Su, Jing;McKittrick, Brian A.;Tang, Haiqun;Burnett, Duane A.;Clader, John W.;Greenlee, William J.;Hawes, Brian E.;O’Neill, Kim;Spar, Brian;Weig, Blair;Kowalski, Timothy;Sorota, Steve;Li, Cheng;Liu, Tongtong. And the article was included in Bioorganic & Medicinal Chemistry in 2007.Quality Control of 3-Cyanophenylisocyanate This article mentions the following:

Analogs of the (arylureido)(cyanophenyl)bicyclo[4.1.0]heptane I are prepared in order to increase their melanin-concentrating hormone receptor R1 (MCH1) antagonist activities and to minimize their inhibition of the hERG potassium channel (inhibition of which is a potential source of QT_c prolongation and of sudden cardiac death). Introduction of new side chains with basic nitrogen atoms improve the in vitro and ex vivo binding of bicycloheptanes to MCH1; attenuation of the basicity of nitrogen on the side chain and the introduction of a polar group such as aminomethyl on the aryl ring directly attached to the bicyclo[4.1.0]heptane ring decrease the inhibition of hERG by the MCH1 antagonists. Analogs in which the arylbicyclo[4.1.0]heptane ring is replaced with a heteroaryl-substituted cyclohexene ring, such as II, show excellent ex vivo MCH1 antagonism with significant reduction of hERG inhibition. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Quality Control of 3-Cyanophenylisocyanate).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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.Quality Control of 3-Cyanophenylisocyanate

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

Effect of CO₂ preservation treatments on the sensory quality of pomegranate juice was written by Mosca, Ana Carolina;Menghi, Leonardo;Aprea, Eugenio;Mazzucotelli, Maria;Benedito, Jose;Zambon, Alessandro;Spilimbergo, Sara;Gasperi, Flavia. And the article was included in Molecules in 2020.Quality Control of Methyl2-methylbutyrate This article mentions the following:

Due to the interest in identifying cost-effective techniques that can guarantee the microbiol., nutritional, and sensorial aspects of food products, this study investigates the effect of CO₂ preservation treatment on the sensory quality of pomegranate juice at t0 and after a conservation period of four weeks at 4°C (t28). The same initial batch of freshly squeezed non-treated (NT) juice was subjected to non-thermal preservation treatments with supercritical carbon dioxide (CO₂), and with a combination of supercritical carbon dioxide and ultrasound (CO₂-US). As control samples, two other juices were produced from the same NT batch: A juice stabilized with high pressure treatment (HPP) and a juice pasteurized at high temperature (HT), which represent an already established non-thermal preservation technique and the conventional thermal treatment. Projective mapping and check-all-that-apply methodologies were performed to determine the sensory qual. differences between the juices. The volatile profile of the juices was characterized by gas chromatog.-mass spectrometry. The results showed that juices treated with supercritical CO2 could be differentiated from NT, mainly by the perceived odor and volatile compound concentration, with a depletion of alcs., esters, ketones, and terpenes and an increase in aldehydes. For example, in relation to the NT juice, limonene decreased by 95% and 90%, 1-hexanol decreased by 9% and 17%, and camphene decreased by 94% and 85% in the CO₂ and CO₂-US treated juices, resp. Regarding perceived flavor, the CO₂-treated juice was not clearly differentiated from NT. Changes in the volatile profile induced by storage at 4°C led to perceivable differences in the odor quality of all juices, especially the juice treated with CO₂-US, which underwent a significant depletion of all major volatile compounds during storage. The results suggest that the supercritical CO₂ process conditions need to be optimized to minimize impacts on sensory quality and the volatile profile. 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. 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 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.Quality Control of Methyl2-methylbutyrate

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

Arachidonic acid-encapsulated microcapsules with core-shell structure prepared by coaxial electrospray was written by Hu, Meng-Xin;Chen, Xian-Lin;Song, Li-Jie;He, Fei. And the article was included in Journal of Applied Polymer Science in 2021.Safety of 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

Arachidonic acid (AA) is an n-6 polyunsaturated 20-carbon fatty acid taking important immunomodulatory roles in infant growth, brain development, and health. However, one of the major drawbacks of polyunsaturated fatty acids is their high susceptibility to oxidation followed by unpleasant odors. Microencapsulation has been proposed as an excellent strategy to solve these problems. In this work, coaxial electrospray was utilized to fabricate AA/zein microcapsules with core-shell structures which were verified by SEM, transmission electron microscopy, and confocal laser scanning microscopy. Microcapsules morphol. was conveniently controlled through electrospray parameters and AA was centralized in the core. The microcapsule diameter ranged from 1 to 7 μm. Results of peroxide values and GC-MS demonstrated that AA in microcapsules possess improved oxidative stability and the unpleasant odors of AA oil was inhibited. The results indicate coaxial electrospray is a useful and convenient tool to fabricate core-shell microcapsules with immiscible materials, which will broaden the potential use of microcapsules as nutrition fortifiers in the food industry. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Safety of 5-Ethyldihydrofuran-2(3H)-one).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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 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.Safety of 5-Ethyldihydrofuran-2(3H)-one

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