Category: esters-buliding-blocks

Effect of Saccharomyces and non-Saccharomyces native yeasts on beer aroma compounds was written by Larroque, M. N.;Carrau, F.;Farina, L.;Boido, E.;Dellacassa, E.;Medina, K.. And the article was included in International Journal of Food Microbiology in 2021.Reference of 706-14-9 This article mentions the following:

Recently, the increase in microbreweries and the consequent production of craft beers have reached exponential growth. The interest in non-conventional yeasts for innovation and a unique selling feature in beer fermentation is increasing. This work studied the autochthonous Saccharomyces and non-Saccharomyces yeasts, isolated from various food sources, with the ability to modify and improve the fermentative and aromatic profiles during alc. fermentation The ability to ferment maltose and produce desirable aroma compounds were considered as the key characters for the screening selection. A synthetic beer wort was developed for this purpose, to simulate beer wort composition A total of forty-seven yeast strains belonging to different genera were analyzed according to their fermentation profile, volatile compounds production and sensory anal. Three native strains of Saccharomyces cerevisiae, Zygoascus meyerae and Pichia anomala were selected to evaluate their aromatic profile in single and mixed fermentations The strains produced 4-vinylguaiacol, β-phenylethyl alc., and isoamyl alc. at levels significantly above the sensory threshold, making them interesting for wheat and blond craft beer styles. The native Hanseniaspora vineae was also included in a co-fermentation treatment, resulting in a promising yeast to produce fruity beers. 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 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. 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.Reference of 706-14-9

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

Study on the key volatile compounds and aroma quality of jasmine tea with different scenting technology was written by An, Huimin;Ou, Xingchang;Zhang, Yangbo;Li, Shi;Xiong, Yifan;Li, Qin;Huang, Jianan;Liu, Zhonghua. And the article was included in Food Chemistry in 2022.SDS of cas: 105-87-3 This article mentions the following:

The aroma quality of jasmine tea refers to the strength and freshness of jasmine fragrance and its coordination with tea aroma, which is regulated by various volatile compounds In this study, seventy volatile compounds of jasmine tea scented by different scenting technol. were analyzed qual. and quant. by gas chromatog.-mass spectrometry (GC-MS). And seven compounds were identified as the key volatile compounds by weighted gene co-expression network anal. (WGCNA), orthogonal partial least squares discriminant anal. (OPLS-DA) and odor activity value (OAV). According to the equation describing seven key volatile compounds and quality of jasmine tea, the optimal scenting technol. was obtained, i.e., the amount of flowers (AF) was 65-78%, scenting time (ST) was 15-17 h, and scenting temperature (SW) was 35-40°C. This study lays a foundation for the study of aroma characteristics of jasmine tea, and guides enterprises to improve jasmine tea processing technol. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3SDS of cas: 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. Polyesters are important plastics, with monomers linked by ester moieties. 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.SDS of cas: 105-87-3

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

A Novel Reaction for Annulation onto α,β-Unsaturated Ketones: W(CO)₅·L Promoted Exo- and Endo-Selective Cyclizations of ω-Acetylenic Silyl Enol Ethers Prepared by 1,4-Addition of Propargyl Malonate to Enones was written by Iwasawa, Nobuharu;Maeyama, Katsuya;Kusama, Hiroyuki. And the article was included in Organic Letters in 2001.Quality Control of Diethyl 2-(prop-2-yn-1-yl)malonate This article mentions the following:

Tungsten carbonyl catalysts promoted five- and six-membered ring annulations onto α,β-unsaturated ketones via cyclizations of acetylenic silyl enol ether intermediates. Thus, 1,4-addition of di-Et propargylmalonate to α,β-unsaturated ketones, e.g. cycloalkenones I (0-3) or PhCOCH:CHR¹ (R¹ = Ph, Me), in the presence of silyl triflates gave siloxy enynes, e.g. II (R¹Si = Me₃CSiMe₂, i-Pr₃Si) and siloxyhepenynes III, in good yield. W(CO)₅·THF and W(CO)₆ catalyzed photochem. cyclization of these intermediates gave either exo-cyclized products, e.g. methylenecyclopentanes IV and V, or endo-cyclized products, e.g. bicyclic ketones VI and benzoylcyclohexenes VII, in good yields simply by changing the reaction solvent. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Quality Control of Diethyl 2-(prop-2-yn-1-yl)malonate).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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. 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.Quality Control of Diethyl 2-(prop-2-yn-1-yl)malonate

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

Stereoselective synthesis of novel thioglycosyl heterocycles was written by El Ashry, El Sayed H.;Awad, Laila F.;Abd Al Moaty, Mohamed N.;Ghabbour, Hazem A.;Barakat, Assem. And the article was included in Journal of Molecular Structure in 2018.Synthetic Route of C16H22O11 This article mentions the following:

In this work, the synthesis of novel 1,2,4-triazole thioglycoside heterocycles, e.g. I, were achieved by the reaction of 1,2,3,4,6-penta-O-acetyl-β-D-glucopyranose and galactopyranose with 4-((4-arylidene)amino)-5-methyl-1,2,4-triazole-3-thiol derivatives, e.g. II, in the presence of boron trifluoride etherate (BF₃·Et₂O) as a promoter under nitrogen in CH₂Cl₂. Exclusive β-stereoselectivity of the formed glycosidic bond was confirmed by X-ray anal. of I as well as its spectral data. Different stereoselectivities were observed when the acceptor having an ortho phenolic OH group, was coupled with the donors, under the same reaction conditions. Similarly, treatment of a mixture of 1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose and the thiol acceptor II afforded the β-thio-ribofuranosides. The β-stereoselectivity of the reaction was confirmed by ¹H, ¹³C, ¹H-¹H 2D, and ¹H-¹³C 2D NMR spectral anal. 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: 4163-60-4Synthetic Route of C16H22O11).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. 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.Synthetic Route of C16H22O11

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

Bisarylureas based on 1H-Pyrazolo[3,4-d]pyrimidine scaffold as novel pan-RAF inhibitors with potent anti-proliferative activities: structure-based design, synthesis, biological evaluation and molecular modelling studies was written by Fu, Yu;Wang, Yuanyuan;Wan, Shanhe;Li, Zhonghuang;Wang, Guangfa;Zhang, Jiajie;Wu, Xiaoyun. And the article was included in Molecules in 2017.HPLC of Formula: 16413-26-6 This article mentions the following:

RAF (Ras activating factor) kinases are important and attractive targets for cancer therapy. With the aim of discovering RAF inhibitors that bind to DFG-out inactive conformation created by the movement of Asp-Phe-Gly (DFG), we conducted structure-based drug design using the X-ray cocrystal structures of BRAF (v-raf murine sarcoma viral oncogene homolog B1), starting from bisarylurea derivative based on 1H-pyrazolo[3,4-d]pyrimidine scaffold 1a. Most of the synthesized compounds showed good to excellent inhibitory activities against BRAF^V600E kinase, possessed moderate to potent anti-proliferative activities against four tumor cell lines (A375, HT-29, PC-3 and A549) and good selectivity towards cancer cells rather normal cells (Madin-Darby canine kidney, MDCK). The most promising compound, 1v, exhibited potent inhibitory activity against not only BRAF^V600E (half maximal inhibitory concentration, IC₅₀ = 23.6 nM) but also wild-type BRAF (IC₅₀ = 51.5 nM) and C-RAF (IC₅₀ = 8.5 nM), and effective cellular anti-proliferative activities against A375, HT-29, PC-3 and A549 cell lines as well as a very good selectivity profile. Moreover, compound 1v mainly arrested the A375 cell line in the G0/G1 stage, and showed significant suppression of MEK (mitogen-activated protein kinase kinase) phosphorylation in A375 and HT-29 cell lines. Taken together, the optimal compound 1v showed excellent in vitro potency as a pan-RAF inhibitor. In addition, the promise of compound 1v was further confirmed by mol. dynamics simulation and binding free energy calculations 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. 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: 16413-26-6

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

Phthalates exposure and attention-deficit/hyperactivity disorder in children: a systematic review of epidemiological literature was written by Praveena, Sarva Mangala;Munisvaradass, Rusheni;Masiran, Ruziana;Rajendran, Ranjith Kumar;Lin, Chu-Ching;Kumar, Suresh. And the article was included in Environmental Science and Pollution Research in 2020.SDS of cas: 84-61-7 This article mentions the following:

Epidemiol. studies have proven that children mental health can be affected by environmental pollutants which are believed to be visible in the form of psychol. disorder later in their childhood. Moreover, the effects of children mental health are evidently clear in the case of phthalates which have been observed to increase psychol. disorder, specifically attention-deficit hyperactivity disorder (ADHD). Hence, the present study aims to conduct a systematic review and provide an overview of the existing literature on the association between urinary phthalate metabolite concentrations and ADHD symptoms among children by emphasizing the confounding factors and limitations. Addnl., this review addressed the possible phthalate mechanism insights in human body including its impact on ADHD symptoms. In this case, 16 epidemiol. studies (five cross-sectional, nine cohort and two case control studies) that met all the inclusion criteria were selected out of the total of 427 papers screened to show varying quant. associations between phthalate exposure and ADHD symptoms among children with confounding factors and limitations in the existing studies in regard to the exposure and outcomes. This review also attempted to present possible explanation on phthalate mechanism in children body and its connection on neurodevelopment and ADHD symptom development which remains unclear in most of the studies. Finally, it is highly recommended for further research to carefully design cohort studies from prenatal to later childhood development with a complete sample size in order to understand phthalate impacts on children health. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7SDS of cas: 84-61-7).

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. 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.SDS of cas: 84-61-7

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

Identification of changes in the volatile compounds of robusta coffee beans during drying based on HS-SPME/GC-MS and E-nose analyses with the aid of chemometrics was written by Zhang, Ke;Cheng, Jinhuan;Hong, Qidi;Dong, Wenjiang;Chen, Xiaoai;Wu, Guiping;Zhang, Zhenzhen. And the article was included in LWT–Food Science and Technology in 2022.Related Products of 118-61-6 This article mentions the following:

In this study, headspace solid-phase microextraction/gas chromatog.-mass spectrometry (HS-SPME/GC-MS) and electronic-nose (E-nose) analyses were performed to examine the comprehensive flavor profiles of robusta coffee during heat air drying. A total of 62 volatile compounds were identified by HS-SPME/GC-MS, the level of acids, aldehydes, alcs. and esters decreased during drying process, however, the relative content of hydrocarbons and acids increased. Principal component anal. of the E-nose results clearly differentiated the samples related to drying time, and it was found that samples of initial stages (0 h, 3 h, and 6 h) had strong pos. with different sensors. Partial least squares-discriminant anal. (PLS-DA) indicated that alcs., ketones, and esters were the main contributing compounds to the flavor of coffee beans. The VIP score of PLS-DA larger than one illustrated that T30/1, T70/2, PA/2, and P30/2 were pos. with ketones, sulfur compounds, and esters. These results could provide theor. evidence about the change rule in volatile compounds of coffee beans during drying process, and could be applied to other thermally sensitive tropical agricultural products. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Related Products of 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. 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.Related Products of 118-61-6

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

Alcohol assisted C-C bond breaking: copper-catalyzed deacetylative α-arylation of β-keto esters and amides was written by Ke, Jie;He, Chuan;Liu, Huiying;Xu, Huan;Lei, Aiwen. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2013.Recommanded Product: 587-88-2 This article mentions the following:

A method of alc.-assisted copper-catalyzed highly selective deacetylative α-arylation of β-keto esters and amides has been demonstrated, which illustrated an efficient example of achieving α-aryl esters and amides. From the synthetic point of view, this arylation protocol is general and practical, representing a simple way to produce α-arylated carbonyl compounds from basic starting materials at low cost. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Recommanded Product: 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. 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.Recommanded Product: 587-88-2

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

Substituted 3-diazoacetylpyridine and some transformation products. Preparation of β-homoquinolinic and β-homonicotinic acids was written by Miescher, K.;Kagi, H.. And the article was included in Helvetica Chimica Acta in 1941.Related Products of 14667-47-1 This article mentions the following:

2-Aminonicotinic acid (50 g.) was added to 100 g. PCl₅ in 100 cc. AcCl. After 4 h. at room temperature the yellow crystalline precipitate of 2-aminonicotinyl chloride-HCl (I) was collected on a fritted glass filter and washed wih CH₂Cl₂. Yield 93% of theor. When I was dissolved in water at 0° and treated with K₂-CO₃ in the presence of Et₂O the freed 2-aminonicotinyl chloride (II) went into the Et₂O layer. II is a yellow crystalline powder, decomposing at about 110°. Heated with MeOH it gave the Me ester, m. 85°. To 75 g. CH₂N₂ in 4 l. of CH₂Cl₂ 70 g. of I was slowly added with stirring and cooling. 2-Amino-3-diazoacetylpyridine (III) (47.5 g.) was obtained as a yellow crystalline powder, decomposing at 163°. III treated with N H₂SO₄ slowly lost N₂ and was converted partly into 2-amino-3-hydroxyacetylpyridine, brown platelets, m. 139.5°, soluble in water and EtOH; and partly into 2-amino-3-hydroxyacetylpyridine monosulfuric ester, C₇H₈N₂O₅S, white crystals m. above 350°, sparingly soluble in water. III with HCl lost N and, after addition of AcONa as a buffer, 2-amino-3-chloroacetylpyridine precipitated It crystallized from MeOH as a yellow powder, m. 146° (decomposition). In like manner III with HBr gave 2-amino-3-bromoacetylpyridine (IV), a yellow microcrystalline powder, m. 113°. The HBr salt of IV formed yellow needles, soluble in water, m. 217° (decomposition). IV with hexamethylenetetramine in CHCl₃ gave 98% of yellow 2-amino-3-aminoacetylpyridine (V). The di-HBr salt of V is yellow, nearly insoluble in water or MeOH, and decomposes 254°. III warmed with anhydrous HCO₂H lost N and, after neutralization with Na₂CO₃, gave the ester, 2-amino-3-formyloxyacetylpyridine, as a brown powder, m. 143° (decomposition). In like manner III with AcOH gave 2-amino-3-acetoxyacetylpyridine. It crystallized from water in colorless leaflets, m. 139°. This same compound was also prepared by boiling IV with aqueous AcONa. To 1 l. of CH₂Cl₂ containing 19 g. CH₂N₂ and cooled to -10°, 40 g. of quinolinic acid 2-Me ester 3-chloride was slowly added. This converted the 3-COCl group to -COCH:N₂, forming 2-carbomethoxy-3-diazoacetylpyridine (VI) which, after solution in MeOH and precipitation by Et₂O, was obtained as a yellow powder, m. 68-70°, and losing N at about 100°. VI, dissolved in MeOH and shaken with Ag₂O, slowly lost N and was converted into β-homoquinolinic acid di-Me ester (yield 50-70%), a yellow oil, b_0.05 105°, soluble in water. Heated with 5 N aqueous NaOH, then acidified with HCl, this ester gave β-homoquinolinic acid, white glistening crystals, m. 182-3°. This acid when heated to 180° in PhNMe₂ lost CO₂, forming β-homonicotinic acid, m. 144°. This in turn, at high temperature, lost CO₂, forming 2-picoline. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Related Products of 14667-47-1).

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.Related Products of 14667-47-1

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

Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: group Z was written by Rodriguez-Sanchez, Isis;Glossman-Mitnik, Daniel;Zaragoza-Contreras, E. Armando. And the article was included in Journal of Molecular Modeling in 2009.Related Products of 27249-90-7 This article mentions the following:

The authors report theor. calculations, by d. functional theory (DFT), for 28 transfer agents used in reversible addition-fragmentation chain transfer (RAFT) polymerization Functional PBE1PBE and 3-21G^* theory levels with Gaussian 03 software were used to determine the order of reactivity of RAFT agents through the evaluation of reactivity parameters such as global softness, global hardness and global philicity. The global softness of the agent was more favored when it contained benzyl or Ph groups as the Z group, than in RAFT agents with Z groups based on O, N, or S. When the Z group is based on O or N, the tendency to form zwitterionic bonds with the adjacent radical center is very high, causing reactivity reduction in these kinds of compounds (e.g., dithiocarbamates) in comparison with compounds that do not experience this type of event; however, with Z groups based on S, 2 fragmentation paths are possible, which reduces the fragmentation rate since both Z and R can function as leaving groups. With this study the authors contribute to the understanding of RAFT-mediated polymerization mechanisms by proposing an order of reactivity based on evaluating the importance of the Z group. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Related Products of 27249-90-7).

Benzyl benzodithioate (cas: 27249-90-7) 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. 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 27249-90-7

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