Tag: 100-200

Cinnamomum camphora fruit peel as a source of essential oil extracted using the solvent-free microwave-assisted method compared with conventional hydrodistillation was written by Liu, Zaizhi;Li, Hualan;Zhu, Zheng;Huang, Dai;Qi, Yanlong;Ma, Chunhui;Zou, Zhengrong;Ni, Hiyan. And the article was included in LWT–Food Science and Technology in 2022.Quality Control of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate This article mentions the following:

In the present study, essential oil from Cinnamomum camphora fruit peel was first separated and characterized by GC-MS. Solvent-free microwave-assisted extraction (SFME) was performed to isolate the essential oil, and the extraction procedure was optimized using a Box-Behnken design. The optimum SFME conditions yielded 80.35 ± 1.88 mg/g of essential oil with 76% moisture content, using a microwave irradiation power of 420 W and an irradiation time of 22 min. No obvious difference was observed between phys. constants of essential oil extracted by SFME and hydrodistillation (HD). SEM micrographs demonstrated more disruption of C. camphora fruit peel cells treated with SFME than by conventional HD. SFME was proposed as an energy-saving, high-efficiency, and environmentally friendly method, as evidenced by its higher yield and volumetric mass transfer coefficient, larger proportions of oxygen compounds, lower consumption of electricity, and lower amounts of CO₂ release and water waste compared to conventional HD. The results show that a once-discarded part of C. camphora can be utilized as a source for the production of essential oil. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Quality Control 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.Quality Control of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate

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

Radical C-H functionalization of heteroarenes under electrochemical control was written by O’Brien, Alexander G.;Maruyama, Akinobu;Inokuma, Yasuhide;Fujita, Makoto;Baran, Phil S.;Blackmond, Donna G.. And the article was included in Angewandte Chemie, International Edition in 2014.Related Products of 2199-49-7 This article mentions the following:

Electrochem. reactions are shown to be effective for the C-H functionalization of a number of heterocyclic substrates that are recalcitrant to conventional peroxide radical initiation conditions. Monitoring reaction progress under electrochem. conditions provides mechanistic insight into the C-H functionalization of a series of heterocycles of interest in medicinal chem. In the experiment, the researchers used many compounds, for example, Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7Related Products of 2199-49-7).

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7) 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.Related Products of 2199-49-7

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

Elucidation of the impact of different drying methods on the key odorants of Toona sinensis (A. Juss.) Roem. using the sensomics approach was written by Zhai, Xiaoting;Granvogl, Michael. And the article was included in Journal of Agricultural and Food Chemistry in 2020.Product Details of 868-57-5 This article mentions the following:

The sensomics approach was applied to both green and red Toona sinensis (TS) varieties dried with different methods (freeze drying, solar drying, and oven drying) to elucidate their influences on the key odorants in TS. Odorant screening via comparative aroma dilution anal. revealed eugenol with the highest flavor dilution factor in all six samples. Quantitation of 44 odorants via stable isotope dilution assays and semiquantitation of six compounds via an internal standard method showed (E,E)-, (E,Z)-, and (Z,Z)-di-1-propenyl disulfide, di-Me sulfide, β-ionone, eugenol, cis- and trans-2-mercapto-3,4-dimethyl-2,3-dihydrothiophene, 2- and 3-methylbutanal, and 2-isopropyl-3-methoxypyrazine with high odor activity values (OAVs) in all samples. Differences were found for (E,Z)-2,6-nonadienal, (E,E)-, (E,Z)-, and (Z,Z)-di-1-propenyl trisulfide, 3-methylnonane-2,4-dione, and (E)-2-hexenal with clearly higher OAVs in freeze-dried (FDTS) and solar-dried TS (SDTS) compared to those in oven-dried TS (ODTS). Linalool, 2-methoxyphenol, and 4-ethylphenol (the latter two only for red TS) were obtained with high OAVs only in FDTS. In general, ODTS showed the lowest OAVs, whereas FDTS as the gentlest drying process revealed the highest OAVs for most odorants and, consequently, the highest aroma quality. However, the overall aroma of SDTS did not differ too much from that of FDTS, and thus, solar drying as a much easier and cheaper technique might be the best choice. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Product Details of 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) 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.Product Details of 868-57-5

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

Optimization, characterization, and antibacterial activity of copper nanoparticles synthesized using Senna didymobotrya root extract was written by Sadia, Bernard Otieno;Cherutoi, Jackson Kiplagat;Achisa, Cleophas Mecha. And the article was included in Journal of Nanotechnology in 2021.Category: esters-buliding-blocks This article mentions the following:

The economic burden and high mortality associated with multidrug-resistant bacteria is a major public health concern. Biosynthesized copper nanoparticles (CuNPs) could be a potential alternative to combat bacterial resistance to conventional medicine. This study for the first time aimed at optimizing the synthesis conditions (concentration of copper ions, temperature, and pH) to obtain the smallest size of CuNPs, characterizing and testing the antibacterial efficacy of CuNPs prepared from Senna didymobotrya (S. didymobotrya) roots. Extraction was done by the Soxhlet method using methanol as the solvent. Gas chromatog.-mass spectrometry (GC-MS) anal. was performed to identify compounds in S. didymobotrya root extracts Box-Behnken design was used to obtain optimal synthesis conditions as determined using a particle analyzer. Characterization was done using UV-visible (UV-Vis), particle size analyzer, X-ray diffraction, zeta potentiometer, and Fourier transform IR (FT-IR). Bioassay was conducted using the Kirby-Bauer disk diffusion susceptibility test. The major compounds identified by GC-MS in reference to the NIST library were benzoic acid, thymol, N-benzyl-2-phenethylamine, benzaldehyde, vanillin, phenylacetic acid, and benzothiazole. UV-Vis spectrum showed a characteristic peak at 570 nm indicating the formation of CuNPs. The optimum synthesis conditions were temperature of 80±C, pH 3.0, and copper ion concentration of 0.0125 M. The FT-IR spectrum showed absorptions in the range 3500-3400 cm^-1 (N-H stretch), 3400-2400 cm^-1 (O-H stretch), and 988-830 cm^-1 (C-H bend) and peak at 1612 cm^-1 (C=C stretch), and 1271 cm^-1 (C-O bend). Cu nanoparticle sizes were 5.55-63.60 nm. The zeta potential value was -69.4 mV indicating that they were stable. The biosynthesized nanoparticles exhibited significant antimicrobial activity on Escherichia coli and Staphylococcus aureus with the zone of inhibition diameters of 26.00 ± 0.58 mm and 30.00 ± 0.58 mm compared to amoxicillin clavulanate (standard) with inhibition diameters of 20 ± 0.58 mm and 28.00 ± 0.58 mm, resp. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Category: esters-buliding-blocks).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. 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. Category: esters-buliding-blocks

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

Synthesis of carbon-14-labeled p-[N,N-bis(2-chloroethyl)aminophenyl]butyric acid was written by Moreau, Jean;Madelmont, Jean C.. And the article was included in Journal of Labelled Compounds in 1974.Computed Properties of C11H15NO2 This article mentions the following:

p-(ClCH2CH2)2-NC6H4(CH2)3CO2H is labeled with 14C on 3 different positions: on the carbon bearing the carboxylic function by means of K14CN; uniformly on the 4 carbons of the 2 chloroethyl groups by means of labeled ethylene oxide; on the vicinal carbon of the carboxylic function by means of K14CN. In the experiment, the researchers used many compounds, for example, Methyl 4-(4-aminophenyl)butanoate (cas: 20637-09-6Computed Properties of C11H15NO2).

Methyl 4-(4-aminophenyl)butanoate (cas: 20637-09-6) 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.Computed Properties of C11H15NO2

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

Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields was written by Henschel, Henning;Andersson, Alfred T.;Jespers, Willem;Mehdi Ghahremanpour, Mohammad;van der Spoel, David. And the article was included in Journal of Chemical Theory and Computation in 2020.Product Details of 118-61-6 This article mentions the following:

IR spectroscopy can provide significant insight into the structures and dynamics of mols. of all sizes. The information that is contained in the spectrum is, however, often not easily extracted without the aid of theor. calculations or simulations. We present here the calculation of the IR spectra of a database of 703 gas phase compounds with four different force fields (CGenFF, GAFF-BCC, GAFF-ESP, and OPLS) using normal-mode anal. Modern force fields increasingly use virtual sites to describe, e.g., lone-pair electrons or the σ-holes on halogen atoms. This requires some adaptation of code to perform normal-mode anal. of such compounds,the implementation of which into the GROMACS software is briefly described as well. For the quant. comparison of the obtained spectra with exptl. reference data, we discuss the application of two different statistical correlation coefficients, Pearson and Spearman. The advantages and drawbacks of the different methods of comparison are discussed, and we find that both methods of comparison give the same overall picture, showing that present force field methods cannot match the performance of quantum chem. methods for the calculation of IR spectra. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Product Details 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. 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.Product Details of 118-61-6

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

Deracemization of aryl substituted α-hydroxy esters using Candida parapsilosis ATCC 7330: effect of substrate structure and mechanism was written by Baskar, B.;Pandian, N. G.;Priya, K.;Chadha, Anju. And the article was included in Tetrahedron in 2005.Synthetic Route of C11H14O3 This article mentions the following:

Candida parapsilosis ATCC 7330 was found to be an efficient biocatalyst for the deracemization of aryl α-hydroxy esters (65-85% yield and 90-99% ee). A variety of α-hydroxy esters were synthesized to reflect steric and electronic effects on biocatalytic deracemization. The mechanism of this biocatalytic deracemization was found to be stereoinversion. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Synthetic Route of C11H14O3).

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

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

Palladium-Catalyzed Oxidative Carbonylation of Benzylic C-H Bonds via Nondirected C(sp³)-H Activation was written by Xie, Pan;Xie, Yinjun;Qian, Bo;Zhou, Han;Xia, Chungu;Huang, Hanmin. And the article was included in Journal of the American Chemical Society in 2012.HPLC of Formula: 587-88-2 This article mentions the following:

A new strategy for generating benzylpalladium reactive species from toluenes via nondirected C(sp³)-H activation has been developed. This led to construction of an efficient Pd-catalyzed reaction protocol for the oxidative carboxylation of benzylic C-H bonds to form substituted 2-phenylacetic acid esters and derivatives from inexpensive, com. available starting materials. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2HPLC of Formula: 587-88-2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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.HPLC of Formula: 587-88-2

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

Oxidation Potentials of Functionalized Sulfone Solvents for High-Voltage Li-Ion Batteries: A Computational Study was written by Shao, Nan;Sun, Xiao-Guang;Dai, Sheng;Jiang, De-en. And the article was included in Journal of Physical Chemistry B in 2012.Product Details of 62020-09-1 This article mentions the following:

New electrolytes with large electrochem. windows are needed to meet the challenge for high-voltage Li-ion batteries. Sulfone as an electrolyte solvent boasts of high oxidation potentials. Here we examine the effect of multiple functionalization on sulfone oxidation potential. We compute oxidation potentials for a series of sulfone-based mols. functionalized with fluorine, cyano, ester, and carbonate groups by using a quantum chem. method within a continuum solvation model. We find that multifunctionalization is a key to achieving high oxidation potentials. This can be realized through either a fluoroether group on a sulfone mol. or sulfonyl fluoride with a cyano or ester group. In the experiment, the researchers used many compounds, for example, Methyl 2-(methylsulfonyl)acetate (cas: 62020-09-1Product Details of 62020-09-1).

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, 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.Product Details of 62020-09-1

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

What happens to commercial camembert cheese under packaging? Unveiling biochemical changes by untargeted and targeted metabolomic approaches was written by Chen, Xiao;Gu, Zixuan;Peng, Yinghan;Quek, Siew Young. And the article was included in Food Chemistry in 2022.COA of Formula: C6H10O2 This article mentions the following:

Camembert cheese undergoes various biochem. changes during ripening, which lead to its unique aroma and typical flavor characteristics. This study aimed to systemically evaluate the primary biochem. events (lipolysis and proteolysis) and secondary metabolites (flavor compounds) of com. Camembert during 56 days of ripening under packaging conditions. The changes of free fatty acid, free amino acids, soluble nitrogen, proteins/peptides distribution, odorant contribution, and volatile profiles were studied. Results showed that the lipolytic process was prevalent during the initial 14 days, while the proteolysis level continuously increased as the ripening period advanced, causing the index of ripening depth to increase from 4.8% to 13.9%. On day 28, the sample developed odorants with high modified frequency values of 94.3%. With the untargeted metabolomic approaches, two major (γ-butyrolactone and Me heptenone) and four minor (3-methyl-1-butanol, γ-hexalactone, 2-nonanone, and dodecanoic acid) volatile markers were recognized to discriminate the ripening stages of Camembert cheese. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7COA of Formula: C6H10O2).

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. 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.COA of Formula: C6H10O2

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