Month: January 2023

Palladium-catalyzed dearomative 1,4-difunctionalization of naphthalenes was written by Yang, Ping;Zheng, Chao;Nie, Yu-Han;You, Shu-Li. And the article was included in Chemical Science in 2020.Electric Literature of C9H10O3S This article mentions the following:

A highly diastereoselective dearomatization of naphthalenes via a Pd-catalyzed 1,4-difunctionalization reaction is described. In the presence of a com. available palladium precursor and ligand, intramol. dearomative Heck-type insertion provides π-allylpalladium intermediates which are readily captured by a series of nucleophiles in excellent yields (up to 99%). This reaction features mild conditions, broad substrate scope, and useful transformations of the products. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Electric Literature of C9H10O3S).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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. Electric Literature of C9H10O3S

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

Probing the contamination characteristics, mobility, and risk assessments of typical plastic additive-phthalate esters from a typical coastal aquaculture area, China was written by Zhang, Ze-Ming;Wang, Liu-Yong;Gu, Yan-Yu;Sun, Ai-Li;You, Jin-Jie;Shi, Xi-Zhi;Chen, Jiong. And the article was included in Journal of Hazardous Materials in 2021.Computed Properties of C20H26O4 This article mentions the following:

Contamination characteristics, equilibrium partitioning and risk assessment of phthalate esters (PAEs) were investigated in seawater, sediment and biol. samples collected from the Xiangshan Bay area during an annual investigation between Jan. and Nov. 2019. PAE concentrations detected in the mariculture environment in surface seawater, sediment, and biol. samples were 172-3365 ng/L, 190-2430μg/kg (dry weight [dw]), and 820-4926μg/kg (dw), resp. The dominant congeners in different media included di-Bu phthalate (DnBP), diisobutyl phthalate (DiBP), and di(2-ethylhexyl) phthalate (DEHP). The inner bay and the bay mouth were the gathering area of PAEs and heavily influenced by the mariculture activities, river inputs, and anthropogenic activities. The bioaccumulation of PAEs demonstrated benthic feeding fishes with relatively high trophic levels concentrated high levels of phthalates. The mobility of PAEs in sediment-seawater showed that the transfer tendency of low-mol. weight species was from the sediment to the water, which was in contrast with those of high-mol. weight PAEs. DEHP, DiBP and DnBP had various degrees of ecol. risks in the aquatic environment, whereas only the DiBP posed potential risks in sediments. The current assessment of carcinogenic and noncarcinogenic risks posed by fish consumption were within acceptable limits for humans. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Computed Properties of C20H26O4).

Dicyclohexyl phthalate (cas: 84-61-7) 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. 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 C20H26O4

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

Twin liquid crystals and segmented thermotropic polyesters containing azobenzene-effect of spacer length on LC properties was written by Nardele, Chinmay G.;Asha, S. K.. And the article was included in Journal of Polymer Science, Part A: Polymer Chemistry in 2012.Recommanded Product: Dimethyl decanedioate This article mentions the following:

Systematic studies are reported for a homologous series of twin liquid crystalline (LC) mols. based on phenylazobenzene and naphthylazobenzene (PnP and NpnNp, n = number of spacer groups) as well as segmented copolyesters based on them. The twin series had the structure azobenzene-oligooxyethylene-azobenzene, where the ethyleneoxy length was varied from 2 to 6 units. The LC properties of the twin series depended on the chem. structure of the azo chromophore and also the length of the central oligooxyethylene segment. The PnP series exhibited smectic LC properties for n greater than three oligooxyethylene units. Conversely, NpnNp series exhibited spherulitic phases only for the shortest member Np2Np. One non-LC short spacer twin (P2P) and one LC long spacer twin (P6P) were incorporated as part of a main chain polyester composed of fully aliphatic segments of sebacate and di- or tetraethylene glycol (DEG/TEG) units by melt polycondensation. Non-LC P2P formed LC polymers even at low (5 mol%) incorporation in DEG-based copolymers, whereas the LC-P6P could do so only at 30 mol% incorporation. The LC properties of the twin mols. as well as copolymers were studied using differential scanning calorimetry, polarized light microscopy (PLM) along with variable temperature wide angle X-ray diffraction. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Recommanded Product: Dimethyl decanedioate).

Dimethyl decanedioate (cas: 106-79-6) 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.Recommanded Product: Dimethyl decanedioate

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

Photodegradation pathways of typical phthalic acid esters Under UV, UV/TiO2, and UV-Vis/Bi2WO6 systems was written by Wang, Chunying;Zeng, Ting;Gu, Chuantao;Zhu, Sipin;Zhang, Qingqing;Luo, Xianping. And the article was included in Frontiers in Chemistry (Lausanne, Switzerland) in 2019.Category: esters-buliding-blocks This article mentions the following:

Photolysis and photocatalysis of typical phthalic acid esters (di-Me phthalate, DMP; di-Et phthalate, DEP; di-Bu phthalate, DBP) were carried out in UV, UV/TiO₂, and UV-Vis/Bi2WO6 systems. All of the selected phthalic acid esters and their decomposition byproducts were subjected to qual. and quant. anal. through HPLC and GC-MS. The results of 300 min of photolysis and photodegradation reaction were that each system demonstrated different abilities to remove DMP, DEP, and DBP. The UV/TiO₂ system showed the strongest degradation ability on selected PAEs, with removal efficiencies of up to 93.03, 92.64, and 92.50% for DMP, DEP, and DBP in 90 min, resp. UV-Vis/Bi2WO6 had almost no ability to remove DMP and DEP. However, all of the systems had strong ability to degrade DBP. On the other hand, the different systems resulted in various byproducts and PAE degradation pathways. The UV system mainly attacked the carbon branch and produced o-hydroxybenzoates. No ring-opening byproducts were detected in the UV system. In the photocatalytic process, the hydroxyl radicals produced not only attacked the carbon branch but also the benzene ring. Therefore, hydroxylated compounds and ring-opening byproducts were detected by GC-MS in both the UV/TiO₂ and UV-Vis/Bi2WO6 photocatalytic systems. However, there were fewer products due to direct hole oxidation in the UV-Vis/Bi2WO6 system compared with the UV/TiO₂ system, which mainly reacted with the pollutants via hydroxyl radicals. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Category: esters-buliding-blocks).

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. 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.Category: esters-buliding-blocks

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

In Vitro and In Vivo Antiviral Studies of New Heteroannulated 1,2,3-Triazole Glycosides Targeting the Neuraminidase of Influenza A Viruses was written by Kutkat, Omnia;Kandeil, Ahmed;Moatasim, Yassmin;Elshaier, Yaseen A. M. M.;El-Sayed, Wael A.;Gaballah, Samir T.;El Taweel, Ahmed;Kamel, Mina Nabil;El Sayes, Mohamed;Ramadan, Mohammed A.;El-Shesheny, Rabeh;Abdel-Megeid, Farouk M. E.;Webby, Richard;Kayali, Ghazi;Ali, Mohamed A.. And the article was included in Pharmaceuticals in 2022.HPLC of Formula: 4163-60-4 This article mentions the following:

There is an urgent need to develop and synthesize new anti-influenza drugs with activity against different strains, resistance to mutations, and suitability for various populations. Herein, we tested in vitro and in vivo the antiviral activity of new 1,2,3-triazole glycosides incorporating benzimidazole, benzooxazole, or benzotriazole cores synthesized by using a click approach. The Cu-catalyzation strategy consisted of 1,3-dipolar cycloaddition of the azidoalkyl derivative of the resp. heterocyclic and different glycosyl acetylenes with five or six carbon sugar moieties. The antiviral activity of the synthesized glycosides against wild-type and neuraminidase inhibitor resistant strains of the avian influenza H5N1 and human influenza H1N1 viruses was high in vitro and in mice. Structure-activity relationship studies showed that varying the glycosyl moiety in the synthesized glycosides enhanced antiviral activity. The compound (2R,3R,4S,5R)-2-((1-(Benzo[d]thiazol-2-ylmethyl)-1H-1,2,3-triazol-4-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (Compound 9c) had a 50% inhibitory concentration (IC50) = 2.280 μM and a ligand lipophilic efficiency (LLE) of 6.84. The compound (2R,3R,4S,5R)-2-((1-((1H-Benzo[d]imidazol-2-yl)methyl)-1H-1,2,3-triazol-4-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate had IC50 = 2.75 μM and LLE = 7.3 after docking anal. with the H5N1 virus neuraminidase. Compound 9c achieved full protection from H1N1 infection and 80% protection from H5N1 in addition to a high binding energy with neuraminidase and was safe in vitro and in vivo. This compound is suitable for further clin. studies as a new neuraminidase inhibitor. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4HPLC of Formula: 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. 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: 4163-60-4

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

Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay was written by Boido, Eduardo;Lloret, Adriana;Medina, Karina;Farina, Laura;Carrau, Francisco;Versini, Giuseppe;Dellacassa, Eduardo. And the article was included in Journal of Agricultural and Food Chemistry in 2003.Application In Synthesis of Ethyl 2-hydroxy-3-phenylpropanoate This article mentions the following:

The free volatiles, as well as those released from the glycosidically bound forms by enzyme hydrolysis, were analyzed to characterize young Tannat wines from 2 successive vintages. The Tannat wine showed some aroma profile peculiarities detected in the free forms but, above all, in the bound fraction for the level and profile of the norisoprenoidic fraction. Among the free volatile compounds, a rather low content of C₆ alcs. with a prevalence of cis-3-hexen-1-ol on the trans form and sometimes a remarkable level of trans-2-hexen-1-ol seem to be typical for the variety. C₁₃-norisoprenoidic and monoterpenic volatiles made up ∼42% of the total level of the volatiles observed in the glycosidase enzyme-released fraction. The other volatiles were C₆ alcs. (6%) and benzenoid compounds (51%). The dominating monoterpene alcs. were the cis and trans isomers of 3,7-dimethyl-1,6-octadiene-3,8-diol (8-hydroxylinalool). The C₁₃-norisoprenoid pattern was composed by 3-hydroxy-β-damascone, 3-oxo-α-ionol, vomifoliol, 4-oxo-β-ionol, 3-oxo-7,8-dihydro-α-ionol, 4-oxo-7,8-dihydro-β-ionol, grasshopper ketone, and 7,8-dihydrovomifoliol. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Application In Synthesis of Ethyl 2-hydroxy-3-phenylpropanoate).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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. 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.Application In Synthesis of Ethyl 2-hydroxy-3-phenylpropanoate

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

Synthesis of butyl 4-[4-hydroxy(alkanoyloxy, aroyloxy)benzylideneamino]benzoates was written by Dikusar, E. A.;Kozlov, N. G.;Potkin, V. I.. And the article was included in Russian Journal of Organic Chemistry in 2008.Application of 20665-85-4 This article mentions the following:

A series of Schiff bases containing ether and ester groups, e.g., I (R¹ = Me, Et; R² = H, Ac, etc), were synthesized by reactions of Bu 4-aminobenzoate with vanillin and 3-ethoxy-4-hydroxybenzaldehyde and their esters. In the experiment, the researchers used many compounds, for example, 4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4Application of 20665-85-4).

4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4) 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. 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 of 20665-85-4

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

Identification, quantitation and sensorial contribution of lactones in brandies between China and France was written by Li, Yuanyi;Li, Qianqian;Zhang, Baochun;Shen, Chunhua;Xu, Yan;Tang, Ke. And the article was included in Food Chemistry in 2021.Product Details of 695-06-7 This article mentions the following:

Lactones are important flavor compounds in lots of foodstuffs. They also play an important role in brandy, but have not been studied at large. In this study, solid-phase extraction (SPE) and stir bar sorptive extraction (SBSE) combined with comprehensive two-dimensional gas chromatog. and time-of-flight mass spectrometry (GC x GC-TOFMS) were applied to identify and quantify lactones in brandies between China and France. Totally 17 lactones were identified, four of which were detected only in SBSE. Among them, γ-valerolactone, γ-heptalactone, δ-octalactone, γ-undecanolactone and δ-dodecalactone were detected in brandy for the first time. The results of partial least squares-discriminant anal. (PLS-DA) revealed that lactones distinguished regional characteristics among different brandies. The omission test showed that four lactones (OAV > 1) had direct impact on the aroma of brandy, and other seven lactones at sub-threshold (0.1 < OAV < 1) provided peach and apricot aroma characteristics through synergistic effects. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Product Details of 695-06-7).

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

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

Synthesis, in-vitro, in-vivo anti-inflammatory activities and molecular docking studies of acyl and salicylic acid hydrazide derivatives was written by Munir, Abida;Khushal, Adil;Saeed, Kiran;Sadiq, Abdul;Ullah, Rahim;Ali, Gowhar;Ashraf, Zaman;Ullah Mughal, Ehsan;Saeed Jan, Muhammad;Rashid, Umer;Hussain, Izhar;Mumtaz, Amara. And the article was included in Bioorganic Chemistry in 2020.Product Details of 81245-24-1 This article mentions the following:

To cure the inflammation effectively and associated with side effects ,1,3,4-oxadiazole II [R= 4-Me, 4-Me-2-MeO, n=0,1] , 1,2,4-triazole III [R= 4-Me, 4-Me-2-MeO, n=0,1] , Schiff base IV [R= F, Me,MeO… n=0,1; R’ = 2-HO-4-MeO, 2-HO, -4-F, 4-HO, etc.] and 3,5-disubstituted pyrazole V derivatives were synthesized starting from salicylic acid and acyl acid hydrazides I[R = 4-Me, 3-MeO, 4-Me-2-MeO, etc., n = 0,1] as COX-1 and COX-2 inhibitors. In-vivo anti-inflammatory activities were also tested by carrageenan-induced mice paw edema against albino mice of any sex. Structures of all the synthesized compounds were confirmed by FT-IR and ¹H NMR anal. Schiff base derivative of 4-aminotriazole (24) with IC₅₀ value of 1.76 ± 0.05 (COX-2) and 117.8 ± 2.59 emerged as potent COX-2 inhibitor. Furthermore, this also performed in-vivo anti-inflammatory investigations by using carrageenan induced paw edema test. From in-vivo anti-inflammatory activities, it was found that after 1 h the maximum percentage inhibition 15.8% was observed by compound I [R= 3-OMe, n=1] which was comparable with that of the standard drug followed by the compound III[R= 4-Me, n=1] with percentage inhibition of 10.5%. After 3 h, the maximum percentage inhibition was observed by compound III [R= 4-Me, n=1] with 22.2% and compound 14 with 16.7%. After 5 h the maximum percentage inhibition was observed by compound III [R= 4-Me, n=1] with 29.4% followed by compound 16 with 23.5%. The mechanism of the inhibition by using docking simulations was also explored. Docking studies revealed that the selective COX-2 inhibitors established interactions with addnl. COX-2 enzyme pocket residues. In the experiment, the researchers used many compounds, for example, Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1Product Details of 81245-24-1).

Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1) 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. 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 81245-24-1

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

Determination of phthalic acid esters and di(2-ethylhexyl) adipate in coffee obtained from capsules was written by Dominguez-Hernandez, Cristopher;Ortega-Zamora, Cecilia;Gonzalez-Salamo, Javier;Hernandez-Borges, Javier. And the article was included in Food Chemistry in 2022.Category: esters-buliding-blocks This article mentions the following:

In this work, the ammonium formate version of the QuEChERS method has been applied for the first time to the extraction of a group of nine phthalic acid esters and one adipate from three types of coffee (maximum intensity, intermediate intensity and decaffeinated) prepared from coffee capsules, using gas chromatog. coupled to mass spectrometry for analytes separation and determination Matrix-matched calibration showed good linearity with determination coefficients (R2) higher than 0.9983 for all analytes and matrixes. In general, matrix effect assessment revealed a medium effect of signal suppression, while mean relative recovery values were in the range 70-120% with relative standard deviation values ≤19% for most analytes. Several samples of each type of coffee obtained from capsules made of different materials were also analyzed, finding concentrations of DBP, DEHA and DEHP in the range 29.3-734 ng/capsule, below the tolerable daily intake established for some of them. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Category: esters-buliding-blocks).

Dicyclohexyl phthalate (cas: 84-61-7) 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