Tag: 100-200

Preparation of alkyl aryl sulfides from alcohols and 2-sulfanylbenzothiazole by a new type of oxidation-reduction condensation using aryl diphenylphosphinite and benzoquinone derivatives was written by Kuroda, Kiichi;Hayashi, Yujiro;Mukaiyama, Teruaki. And the article was included in Chemistry Letters in 2008.COA of Formula: C11H14O3 This article mentions the following:

A method for the preparation of alkyl aryl sulfides from alcs. and 2-sulfanylbenzothiazole by a new type of oxidation-reduction condensation using Ph diphenylphosphinite and 2,6-dimethoxy-1,4-benzoquinone is described. In this reaction, the chiral alcs. are converted into the corresponding chiral sulfides with almost complete inversion of configurations under mild and neutral conditions. In the experiment, the researchers used many compounds, for example, Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6COA of Formula: C11H14O3).

Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6) 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. 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: C11H14O3

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

Design, synthesis, insecticidal activity and 3D-QSR study for novel trifluoromethyl pyridine derivatives containing an 1,3,4-oxadiazole moiety was written by Xu, F. Z.;Wang, Y. Y.;Luo, D. X.;Yu, G.;Guo, S. X.;Fu, H.;Zhao, Y. H.;Wu, J.. And the article was included in RSC Advances in 2018.Name: Ethyl 2-(4-fluorophenyl)acetate This article mentions the following:

A series of trifluoromethyl pyridine derivatives containing 1,3,4-oxadiazole moiety I (R = H, 3-Cl-4-CH₃, 3-CH₃, etc.) was designed, synthesized and bio-assayed for their insecticidal activity. The result of bio-assays indicated the synthesized compounds exhibited good insecticidal activity against Mythimna separata and Plutella xylostella, most of the title compounds show 100% insecticidal activity at 500 mg L^-1 and >80% activity at 250 mg L^-1 against the two pests. Compounds I (R = 2-CF₃) and 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-(4-fluorobenzyl)-1,3,4-oxadiazole showed LC₅₀ values of 38.5 and 30.8 mg L^-1 against Mythimna separata, resp., which were close to that of avermectin (29.6 mg L^-1). Compounds I (R = 3,5-Cl₂, 4-C₂H₅, 2-Cl-5-Br, 4-I, 3,4-Cl₂, 2-I, 3-N(CH₃)₂) and 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-(4-fluorobenzyl)-1,3,4-oxadiazole showed 100% activity at 250 mg L^-1, which were better than chlorpyrifos (87%). CoMFA and CoMSIA models with good predictability were proposed, which revealed the electron-withdrawing groups with an appropriate bulk at 2- and 4-positions of benzene ring could enhance insecticidal activity. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Name: Ethyl 2-(4-fluorophenyl)acetate).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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鎺?C閳ユ弲閳ユ彊 and O閳ユ弲閳ユ彊 angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C閳ユ彊閳ユ弲 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. Name: Ethyl 2-(4-fluorophenyl)acetate

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

Chemical Composition of the Unexplored Volatile Fraction of Betula glandulosa, a Prevalent Shrub in Nunavik, Quebec was written by Seguin, Jean-Christophe;Fernandez, Xavier;Boudreau, Stephane;Voyer, Normand. And the article was included in Chemistry & Biodiversity in 2022.Recommanded Product: 118-61-6 This article mentions the following:

The volatile fraction of the leaves of Betula glandulosaICHX. has been investigated for its secondary metabolite composition by GC/MS and GC/FID. The rapid expansion of this shrub species in subarctic landscapes, like the ones found in Nunavik (Northern Quebec, Canada), highly impacts ecosystem dynamics. Yet, despite its abundance, few phytochem. investigations have yet been conducted on this species. In this study, we present the first phytochem. investigation of the volatile metabolites of B. glandulosa leaves. Although no essential oil was isolated, volatile compounds were extracted from the hydrosol by steam distillation The main metabolites observed were linalool (14.6-19.0 %), C6 oxylipins (known as green leaf volatiles, GLV; total of 18.2-40.2 %), eugenol (1.6-8.6 %) and 浼?terpineol (3.3-4.8 %). Dwarf birch is an important food source for insects and herbivores, so knowledge of its metabolite composition could help understand parts of its functional role in subarctic ecosystems. The composition of the volatile fraction could serve as marker for differentiating B. glandulosa from other dwarf birch species like Betula nana L. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Recommanded Product: 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 绾?valerolactone.Recommanded Product: 118-61-6

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

Synthesis of rac-bisabola-3(15),10-dien-7-ol was written by Weyerstahl, Peter;Schlicht, Volker. And the article was included in Liebigs Annalen/Recueil in 1997.Recommanded Product: Ethyl 4-methylenecyclohexanecarboxylate This article mentions the following:

1-Acetyl-4-methylenecyclohexane was obtained from 4-methylenecyclohexanecarboxylate, by DIBAH reduction, Grignard reaction, and oxidation A further Grignard reaction furnished rac-bisabola-3(15),10-dien-7-ol, which was isolated recently from vetiver oil. Its odor is mainly aldehydic (fatty, floral). In the experiment, the researchers used many compounds, for example, Ethyl 4-methylenecyclohexanecarboxylate (cas: 145576-28-9Recommanded Product: Ethyl 4-methylenecyclohexanecarboxylate).

Ethyl 4-methylenecyclohexanecarboxylate (cas: 145576-28-9) 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. 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.Recommanded Product: Ethyl 4-methylenecyclohexanecarboxylate

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

Applicability of pea ingredients in baked products: Links between formulation, reactivity potential and physicochemical properties was written by Krause, Svenja;Asamoah, Eugenia Ayebea;Huc-Mathis, Delphine;Moulin, Gabrielle;Jakobi, Ralf;Rega, Barbara;Bonazzi, Catherine. And the article was included in Food Chemistry in 2022.Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one This article mentions the following:

This study aimed to evaluate the applicability of purified pea ingredients (starch and protein isolate) by assessing their potential to form volatile compounds during the different steps of sponge cake development compared to pea flour and wheat flour. While pea flour was highly susceptible to lipid oxidation during batter beating, the combination of purified pea starch and pea protein yielded significantly fewer oxidation markers with known green-beany off-odors. This was due more to the inactivation of lipoxygenase during flour fractionation than to differences in batter structure. However, fractionated ingredients were highly prone to participating in the Maillard reaction and caramelization during baking, leading to a more complex mixture of pyrazines, Strecker aldehydes and furanic compounds with potential malty and roasted notes compared to cakes based on pea flour or wheat flour. These findings confirm that using purified pea fractions can create high-quality products with an attractive composition In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Application In Synthesis of 5-Ethyldihydrofuran-2(3H)-one).

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. 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 5-Ethyldihydrofuran-2(3H)-one

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

Identification of novel compounds in rose absolute with gas chromatography/high-resolution mass spectrometry was written by Remy, Pierre-Alain;Sarrazin, Elise;Peres, Christophe;Dugay, Jose;David, Nathalie;Vial, Jerome. And the article was included in Flavour and Fragrance Journal in 2022.Synthetic Route of C12H20O2 This article mentions the following:

Gas Chromatog./High-Resolution Mass Spectrometry (HRMS) was used to identify new compounds in Rosa damascena and Rosa centifolia absolutes. These compounds were esters derived from the main alcs. of rose absolute (phenylethyl alc., geraniol, citronellol, nerol, and (E,E)-farnesol). Based on low-resolution mass spectrometry (LRMS) and HRMS data of rose absolutes, hypotheses were first formulated. In a second stage, the standards of these candidate structures were synthesized and analyzed by LRMS using apolar and polar columns. LRMS spectra of these standards, and apolar and polar retention indexes (RI) were compared with those of candidate structures. Only four out of nineteen mols. were validated by these three criteria mostly due to an important difference of polar RIs between the standards and the compounds detected in rose absolutes. In a third stage, absolutes were spiked with synthesized standards and were analyzed by HRMS on both apolar and polar columns to confirm the presence of these candidate structures. Finally, 19 new compounds were identified in Rosa damascena and Rosa centifolia absolutes. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Synthetic Route of C12H20O2).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Synthetic Route of C12H20O2

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

The symbiotic bacteria Alcaligenes faecalis of the entomopathogenic nematodes Oscheius spp. exhibit potential biocontrol of plant- and entomopathogenic fungi was written by Shan, Shaojie;Wang, Wenwu;Song, Chunxu;Wang, Minggang;Sun, Bingjiao;Li, Yang;Fu, Yaqi;Gu, Xinghui;Ruan, Weibin;Rasmann, Sergio. And the article was included in Microbial Biotechnology in 2019.Name: Isopentyl 3-methylbutanoate This article mentions the following:

Soil-dwelling entomopathogenic nematodes (EPNs) kill arthropod hosts by injecting their symbiotic bacteria into the host hemolymph and feed on the bacteria and the tissue of the dying host for several generations cycles until the arthropod cadaver is completely depleted. The EPN-bacteria-arthropod cadaver complex represents a rich energy source for the surrounding opportunistic soil fungal biota and other competitors. We hypothesized that EPNs need to protect their food source until depletion and that the EPN symbiotic bacteria produce volatile and non-volatile exudations that deter different soil fungal groups in the soil. We isolated the symbiotic bacteria species (Alcaligenes faecalis) from the EPN Oscheius spp. and ran infectivity bioassays against entomopathogenic fungi (EPF) as well as against plant pathogenic fungi (PPF). We found that both volatile and non-volatile symbiotic bacterial exudations had neg. effects on both EPF and PPF. Such deterrent function on functionally different fungal strains suggests a common mode of action of A. faecalis bacterial exudates, which has the potential to influence the structure of soil microbial communities, and could be integrated into pest management programs for increasing crop protection against fungal pathogens. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Name: Isopentyl 3-methylbutanoate).

Isopentyl 3-methylbutanoate (cas: 659-70-1) 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 绾?valerolactone.Name: Isopentyl 3-methylbutanoate

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

Antioxidant activity and 浼?glucosidase inhibitability of Distichochlamys citrea M.F. Newman rhizome fractionated extracts: in vitro and in silico screenings was written by Van Chen, Tran;Cuong, To Dao;Quy, Phan Tu;Bui, Thanh Q.;Van Tuan, Le;Van Hue, Nguyen;Triet, Nguyen Thanh;Ho, Duc Viet;Bao, Nguyen Chi;Nhung, Nguyen Thi Ai. And the article was included in Chemical Papers in 2022.Reference of 706-14-9 This article mentions the following:

Distichochlamys citrea M.F. Newman (commonly known as Black Ginger) is an endemic plant to Vietnam and has been extensively exploited by folk medication for treatments of infection-related diseases and diabetes. In this work, its rhizomes were subjected to fractionated extraction, phytochem. examination, evaluation of antioxidant effect by DDPH free radical neutralization, and inhibitory activity toward 浼?glucosidase. The compositional components were subjected to in silico screening, including d. functional theory calculation, mol. docking simulation, physicochem. anal., and pharmacokinetic regression. In the trials, EtOAc fraction is found as the bioactive part of most effectiveness, regarding both antioxidant effect (IC50 = 90.27 娓璯 mL-1) and 浼?glucosidase inhibitory activity (IC50 = 115.75 娓璯 mL-1). Chem. determination reveals there are 13 components of its composition DFT-based calculations find no abnormal constraints in their structures. Docking-based simulation provides order of inhibitory effectiveness: 3-P53341 > 12-P53341 > 7-P53341 > 4-P53341 > 11-P53341 > 10-P53341. QSARIS-based investigations implicate their biocompatibility. ADMET-based regressions indicate that all candidates are generally safe for medicinal applications. The findings would contribute to the basis for further studies on the chem. compositions of Distichochlamys citrea and their biol. activities. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Reference of 706-14-9).

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

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

Borage, calendula, cosmos, Johnny Jump up, and pansy flowers: volatiles, bioactive compounds, and sensory perception was written by Fernandes, Luana;Casal, Susana;Pereira, Jose A.;Malheiro, Ricardo;Rodrigues, Nuno;Saraiva, Jorge A.;Ramalhosa, Elsa. And the article was included in European Food Research and Technology in 2019.Recommanded Product: 118-61-6 This article mentions the following:

The aim of the present work was to study the main volatile and bioactive compounds (monomeric anthocyanins, hydrolysable tannins, total flavonoids, and total reducing capacity) of five edible flowers: borage (Borage officinalis), calendula (Calendula arvensis), cosmos (Cosmos bipinnatus), Johnny Jump up (Viola tricolor), and pansies (Viola 鑴?wittrockiana), together with their sensory attributes. The sensory anal. (10 panelists) indicated different floral, fruity, and herbal odors and taste. From a total of 117 volatile compounds (SPME-GC-MS), esters were most abundant in borage, sesquiterpenes in calendula, and terpenes in cosmos, Johnny Jump up, and pansies. Some bioactive and volatile compounds influence the sensory perception. For example, the highest content of total monomeric anthocyanins (cosmos and pansies) was associated with the highest scores of colors intensity, while the floral and green fragrances detected in borage may be due to the presence of Et octanoate and 1-hexanol. Therefore, the presence of some volatiles and bioactive compounds affects the sensory perception of the flowers. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Recommanded Product: 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 绾?valerolactone.Recommanded Product: 118-61-6

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

gem-Difluoroolefination of Diazo Compounds with TMSCF₃ or TMSCF₂Br: Transition-Metal-Free Cross-Coupling of Two Carbene Precursors was written by Hu, Mingyou;Ni, Chuanfa;Li, Lingchun;Han, Yongxin;Hu, Jinbo. And the article was included in Journal of the American Chemical Society in 2015.Application of 587-88-2 This article mentions the following:

A new olefination protocol for transition-metal-free cross-coupling of two carbene fragments arising from two different sources, namely, a nonfluorinated carbene fragment resulting from a diazo compound and a difluorocarbene fragment derived from Ruppert-Prakash reagent (TMSCF₃) or TMSCF₂Br, has been developed. This gem-difluoroolefination proceeds through the direct nucleophilic addition of diazo compounds to difluorocarbene followed by elimination of N₂. Compared to previously reported Cu-catalyzed gem-difluoroolefination of diazo compounds with TMSCF₃, which possesses a narrow substrate scope due to a demanding requirement on the reactivity of diazo compounds and in-situ-generated CuCF₃, this transition-metal-free protocol affords a general and efficient approach to various disubstituted 1,1-difluoroalkenes, including difluoroacrylates, diaryldifluoroolefins, as well as arylalkyldifluoroolefins. In view of the ready availability of diazo compounds and difluorocarbene reagents and versatile transformations of 1,1-difluoroalkenes, this new gem-difluoroolefination method is expected to find wide applications in organic synthesis. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Application of 587-88-2).

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

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