Esters-buliding-blocks

Catalytic Performance and Electrophoretic Behavior of an Yttrium-Organic Framework Based on a Tricarboxylic Asymmetric Alkyne was written by Perez, Juana M.;Rojas, Sara;Garcia-Garcia, Amalia;Montes-Andres, Helena;Ruiz Martinez, Cristina;Romero-Cano, Manuel S.;Choquesillo-Lazarte, Duane;Abdelkader-Fernandez, Victor Karim;Perez-Mendoza, Manuel;Cepeda, Javier;Rodriguez-Dieguez, Antonio;Fernandez, Ignacio. And the article was included in Inorganic Chemistry in 2022.Application In Synthesis of Dimethyl 5-ethynylisophthalate This article mentions the following:

A new Yttrium-based metal-organic framework (MOF) GR-MOF-6 with chem. formula {[YL(DMF)₂]·(DMF)}_n (H₃L = 5-((4-carboxyphenyl)ethynyl) isophthalic acid, DMF = DMF) was prepared by solvothermal route. The structural characterization reveals that this novel material is a 3-dimensional MOF in which the coordination of the tritopic ligand to Y(III) metal ions leads to an intercrossing channel system extending over three dimensions. This material showed to be a very efficient catalyst in the cyanosilylation of carbonyls, being the 2nd in highest catalytic activity among the reported rare earth metal-based MOFs described so far but with the lowest required catalyst loading. Its electrophoretic behavior was studied in deep providing a zero-charge point at pH between 4 and 5, and with the highest electrophoretic mobility of -1.553μm cm/V·s and a ζ-potential of -19.8 mV at pH 10. In the experiment, the researchers used many compounds, for example, Dimethyl 5-ethynylisophthalate (cas: 313648-56-5Application In Synthesis of Dimethyl 5-ethynylisophthalate).

Dimethyl 5-ethynylisophthalate (cas: 313648-56-5) 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. 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.Application In Synthesis of Dimethyl 5-ethynylisophthalate

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

Discovery of 2-{4-[(3S)-Piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): A Novel Oral Poly(ADP-ribose)polymerase (PARP) Inhibitor Efficacious in BRCA-1 and -2 Mutant Tumors was written by Jones, Philip;Altamura, Sergio;Boueres, Julia;Ferrigno, Federica;Fonsi, Massimiliano;Giomini, Claudia;Lamartina, Stefania;Monteagudo, Edith;Ontoria, Jesus M.;Orsale, Maria Vittoria;Palumbi, Maria Cecilia;Pesci, Silvia;Roscilli, Giuseppe;Scarpelli, Rita;Schultz-Fademrecht, Carsten;Toniatti, Carlo;Rowley, Michael. And the article was included in Journal of Medicinal Chemistry in 2009.Category: esters-buliding-blocks This article mentions the following:

We disclose the development of a novel series of 2-phenyl-2H-indazole-7-carboxamides as poly(ADP-ribose)polymerase (PARP) 1 and 2 inhibitors. This series was optimized to improve enzyme and cellular activity, and the resulting PARP inhibitors display antiproliferation activities against BRCA-1 and BRCA-2 deficient cancer cells, with high selectivity over BRCA proficient cells. Extrahepatic oxidation by CYP450 1A1 and 1A2 was identified as a metabolic concern, and strategies to improve pharmacokinetic properties are reported. These efforts culminated in the identification of 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827), which displays good pharmacokinetic properties and is currently in phase I clin. trials. This compound displays excellent PARP 1 and 2 inhibition with IC₅₀ = 3.8 and 2.1 nM, resp., and in a whole cell assay, it inhibited PARP activity with EC₅₀ = 4 nM and inhibited proliferation of cancer cells with mutant BRCA-1 and BRCA-2 with CC₅₀ in the 10-100 nM range. MK-4827 was well tolerated in vivo and demonstrated efficacy as a single agent in a xenograft model of BRCA-1 deficient cancer. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Category: esters-buliding-blocks).

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. 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.Category: esters-buliding-blocks

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

Spanish Melon Landraces: Revealing Useful Diversity by Genomic, Morphological, and Metabolomic Analysis was written by Flores-Leon, Alejandro;Perez Moro, Clara;Marti, Raul;Beltran, Joaquin;Rosello, Salvador;Cebolla-Cornejo, Jaime;Pico, Belen. And the article was included in International Journal of Molecular Sciences in 2022.Related Products of 868-57-5 This article mentions the following:

Spain is a secondary center of the diversification of the melon (Cucumis melo L.), with high diversity represented in highly appreciated landraces belonging to the Flexuosus and Ibericus groups. A collection of 47 accessions of Flexuosus, Chate, Piel de Sapo, Tendral, Amarillo, Blanco, and Rochet was analyzed using a genotyping-by-sequencing (GBS) approach. A total of 66,971 quality SNPs were identified. Genetic anal. differentiated Ibericus accessions and exotic materials (Ameri, Momordica, Kachri, and Agrestis), while Flexuous accessions shared ancestry between them. Within the Ibericus group, no clear genomic distinction could be identified for the different landraces evaluated, with accessions of different landraces showing high genetic similarity. The morphol. characterization confirmed that the external color and fruit shape had been used as recognition patterns for Spanish melon landraces, but variability within a landrace exists. Differences were found in the sugars and acid and volatile profiles of the materials. Flexuosus and Chate melons at the immature com. stage accumulated malic acid and low levels of hexoses, while Ibericus melons accumulated high contents of sucrose and citric acid. Specific trends could be identified in the Ibericus landraces. Tendral accumulated low levels of sugars and citric acid and high of malic acid, maintaining higher firmness, Rochet reached higher levels of sugars, and Amarillo tended to lower malic acid contents. Interestingly, high variability was found within landraces for the acidic profile, offering possibilities to alter taste tinges. The main volatile organic compounds (VOCs) in Flexuosus and Chate were aldehydes and alcs., with clear differences between both groups. In the Ibericus landraces, general trends for VOC accumulation could be identified, but, again, a high level of variation exists. This situation highlights the necessity to develop depuration programs to promote on-farm in situ conservation and, at the same time, offers opportunities to establish new breeding program targets and to take advantage of these sources of variation. 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. 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.Related Products of 868-57-5

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

Unexpected synthesis, single-crystal x-ray structure, anticancer activity, and molecular docking studies of certain 2-((imidazole/benzimidazol-2-yl)thio)-1-arylethanones was written by Al-Warhi, Tarfah;Said, Mohamed A.;Hassab, Mahmoud A. El;Aljaeed, Nada;Ghabour, Hazem A.;Almahli, Hadia;Eldehna, Wagdy M.;Abdel-Aziz, Hatem A.. And the article was included in Crystals in 2020.Category: esters-buliding-blocks This article mentions the following:

Herein a new unexpected synthetic route to obtain a series of 2-((imidazole/benzimidazol-2-yl)thio)1-arylethanones I (R = R¹ = H, (CH)₄; Ar = C₆H₅, 4-MeOC₆H₄, thien-2-yl)endowed with promising anti-breast cancer and Cyclin-dependent kinase 2 (CDK2) inhibitory activities is described. Contrary to expectations, products for the reaction of 2-mercaptoimidazole/benzimidazole with β-keto esters II were unambiguously assigned as I based on NMR spectroscopy and single-crystal X-ray crystallog. analyses. In vitro anticancer activities of I were assessed through a cell-based assay against human breast cancer T4-7D and MCF-7 cell lines. Benzimidazoles exerted better anti-proliferative action towards T4-7D and MCF-7 cell lines than their corresponding imidazole counterparts. Furthermore, a mol. docking study suggested CDK2 kinase as a potential enzymic target for benzimidazoles, and investigated their possible binding pattern and interactions within CDK2 active site. Thereafter, benzimidazoles were in vitro examined for their CDK2 inhibitory action, where they exerted good activity. Finally, several key ADME and druglikeness properties were predicted by the SwissADME online tool. Interestingly, benzimidazoles were found to have no violations in all druglikeness rules. In addition, they had neither PAINS nor structural alerts (Brenks). In conclusion, benzimidazoles also an acceptable ADME and physicochem. properties especially I (R = R¹ = (CH)₄; Ar = 4-MeOC₆H₄). In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Category: esters-buliding-blocks).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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.Category: esters-buliding-blocks

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.Category: esters-buliding-blocks 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-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. 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.Category: esters-buliding-blocks

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

Discovering a new class of antifungal agents that selectively inhibits microbial carbonic anhydrases was written by Annunziato, Giannamaria;Giovati, Laura;Angeli, Andrea;Pavone, Marialaura;Del Prete, Sonia;Pieroni, Marco;Capasso, Clemente;Bruno, Agostino;Conti, Stefania;Magliani, Walter;Supuran, Claudiu T.;Costantino, Gabriele. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2018.Computed Properties of C7H8N2O2 This article mentions the following:

Infections caused by pathogens resistant to the available antimicrobial treatments represent nowadays a threat to global public health. Recently, it has been demonstrated that carbonic anhydrases (CAs) are essential for the growth of many pathogens and their inhibition leads to growth defects. Principal drawbacks in using CA inhibitors (CAIs) as antimicrobial agents are the side effects due to the lack of selectivity toward human CA isoforms. Herein we report a new class of CAIs, which preferentially interacts with microbial CA active sites over the human ones. The mechanism of action of these inhibitors was investigated against an important fungal pathogen, Cryptococcus neoformans, revealing that they are also able to inhibit CA in microbial cells growing in vitro. At our best knowledge, this is the first report on newly designed synthetic compounds selectively targeting β-CAs and provides a proof of concept of microbial CAs suitability as an antimicrobial drug target. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Computed Properties of 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. 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.Computed Properties of C7H8N2O2

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

Variations in Essential Oils from South Siberian Conifers of the Pinaceae Family: New Data towards Identification and Quality Control was written by Romanenko, Elena P.;Domrachev, Dmitry V.;Tkachev, Alexey V.. And the article was included in Chemistry & Biodiversity in 2022.Recommanded Product: 105-87-3 This article mentions the following:

Conifer essential oils have been used for centuries in traditional medicine, and nowadays they are of special interest for official medicine, aromatherapy and perfumery. In the present work, comprehensive information is given on the composition of essential oils prepared from the twigs of the conifer trees of the pine family (Pinaceae): Abies sibirica Ledeb., Larix sibirica Ledeb., Picea obovata Ledeb., Pinus sibirica Du Tour, Pinus sylvestris L. A total of 50 samples of essential oils have been studied. The samples were prepared during vegetation stage in the time period 1998-2012 from the growing wild trees in the South part of the Western Siberia (Russian Federation) and neighboring territories of Republic of Kazakhstan within the area with geog. coordinates LAT 49.180012-57.908583 and LON 83.213217-91.258717 at elevation of 82-2070 m above sea level. All the essential oil samples were obtained from freshly collected plant raw material by steam distillation at atm. pressure in stainless steel apparatus, which had been specially designed for field research. All the chromatog. profiles were prepared from authentic samples whose voucher specimens are deposited at the Central Siberian Botanical Garden of the Siberian Branch of the Russian Academy of Sciences (NS). The following information for each sample is provided: (1) date and location of the plant raw material collecting, indicating administrative areas and the exact geog. coordinates; (2) yield of essential oil, (3) chem. composition of the essential oil sample based on GC/MS experiments using full mass-spectra (EI, 70 eV) and linear retention indexes of the components, (4) results of GC-FID quantification based on internal standards and response factors, (5) enantiomeric composition of the main components based on GCxGC experiments using the 2nd column with cyclodextrin-based chiral selector, (6) GC profile of the high-boiling fractions indicating the characteristic sesquiterpenoids. Therefore, this study provides reliable information about the variability and true composition of the Siberian conifer oils, and the exptl. data given can serve as reference chromatog. profiles of volatile substances to solve the problems of quality, authenticity and safety. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Recommanded Product: 105-87-3).

(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. 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.Recommanded Product: 105-87-3

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

Unsymmetrical α,ω-Difunctionalized Long-Chain Compounds via Full Molecular Incorporation of Fatty Acids was written by Witt, Timo;Stempfle, Florian;Roesle, Philipp;Haeussler, Manuel;Mecking, Stefan. And the article was included in ACS Catalysis in 2015.Product Details of 3903-40-0 This article mentions the following:

α,ω-Difunctionalized long-chain compounds A-(CH₂)_n-B are valuable intermediates and monomers. Unsym. compounds with two different functional groups (A ≠ B) are, however, only accessible by multistep traditional organic syntheses to date. We report on their generation in a single step by isomerizing alkoxycarbonylations of the double bond deep in the chain of oleic derivatives The compatibility with amide, nitrile and imide functionalities in the substrate allows for the formation with high linear selectivities (ca. 90%) and conversions (70 to 96%) of unsym. diesters, ester-amides, ester-nitriles and ester-(N-imides) in which these functional groups are terminally attached to a ≥ 17 methylene unit chain. These products further provide access to carboxylic acid-esters, alc.-esters and amino-esters, and polymers from these AB-monomers. Undesired transesterifications that scramble the A and B functionalities are suppressed completely (<0.1%) by the utilization of a Pd(II) catalyst precursor devoid of acid additives in the presence of amine base. In the experiment, the researchers used many compounds, for example, 12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0Product Details of 3903-40-0).

12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0) 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. 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 3903-40-0

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

Effect of lactic acid bacteria and yeasts on the structure and fermentation properties of Tibetan kefir grains was written by Chen, Zhina;Liu, Tian;Ye, Tao;Yang, Xijuan;Xue, Yongzhen;Shen, Yeqiao;Zhang, Qing;Zheng, Xiaomei. And the article was included in International Dairy Journal in 2021.Reference of 659-70-1 This article mentions the following:

To better understand the effects of lactic acid bacteria (LAB) and yeasts on the structure and fermentation properties of Tibetan kefir grains (TKGs), we treated TKGs for 1 mo with high doses of mycillin and cycloheximide to inhibit LAB and yeasts, resp. The results showed that in each group of TKGs, Lactobacillus kefiranofaciens was the only dominant and stable bacterial species, and it exhibited two distinct morphologies in TKGs, short rods in the LAB-inhibited group, and long rods in the yeast-inhibited and control groups, which might directly result in the inability of the grains in the LAB-inhibited group to grow further. Compared with bacteria, the relative abundance of yeasts in TKGs was very low. However, even though yeast had no effect on the structure and growth characteristics of TKGs, they had a great influence on the fermentation characteristics of Tibetan kefir, such as acid production and aroma. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Reference of 659-70-1).

Isopentyl 3-methylbutanoate (cas: 659-70-1) 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. 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.Reference of 659-70-1

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

Characterization of key sulfur aroma compounds and enantiomer distribution in Yingjia Gongjiu was written by Zhu, JianCai;Niu, YunWei;Huang, Mingquan;Xiao, ZuoBing. And the article was included in LWT–Food Science and Technology in 2022.SDS of cas: 659-70-1 This article mentions the following:

Yingjia Gongjiu (YJGJ), as a strong-aroma-type baijiu, is popular among consumers due to its unique fruity flavor. However, previous research on the aroma characteristics of YJGJ mostly focused on its main aroma components, namely the esters, therefore, the present work was the first to study the aroma characteristics of YJGJ from the perspective of sulfur-containing compounds A total of 12 sulfur-containing compounds were identified. Among them, 4-methyl-4-mercapto-2-pentanone, 2-methyl-3-furanthiol, 3-mercaptohexyl acetate, di-Me disulfide, di-Me trisulfide, and methional were among the key contributors to the aroma of YJGJ. Meanwhile, 14 enantiomers were identified. Among them, (R)-(-)-3-mercaptohexyl acetate, (R)-(-)-3-mercapto-2-butanone, (R)-(-)-2-octyl butanoate, (S)-(+)-2-octyl butanoate, (R)-(-)-1-octen-3-ol, (R)-(-)-Et 2-methylbutanoate and (R)-(-)-phenylethyl 2-methylbutanoate made an important contribution to the aroma of YJGJ. This research may provide an important theor. basis for the quality improvement and quality identification of YJGJ and other strong-aroma-types of baijiu. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1SDS of cas: 659-70-1).

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. 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.SDS of cas: 659-70-1

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