Month: February 2023

Highly Efficient and Chemoselective Zinc-Catalyzed Hydrosilylation of Esters under Mild Conditions was written by Kovalenko, Oleksandr O.;Adolfsson, Hans. And the article was included in Chemistry – A European Journal in 2015.Category: esters-buliding-blocks This article mentions the following:

A mild and highly efficient catalytic hydrosilylation protocol for room-temperature ester reductions has been developed using diethylzinc as the catalyst. The methodol. is operationally simple, displays high functional group tolerance and provides for a facile access to a broad range of different alcs. in excellent yields. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Category: esters-buliding-blocks).

Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Category: esters-buliding-blocks

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

High Affinity Central Benzodiazepine Receptor Ligands: Synthesis and Biological Evaluation of a Series of Phenyltriazolobenzotriazindione Derivatives was written by Primofiore, Giampaolo;Da Settimo, Federico;Taliani, Sabrina;Salerno, Silvia;Novellino, Ettore;Greco, Giovanni;Cosimelli, Barbara;Besnard, Francois;Costa, Barbara;Montali, Marina;Martini, Claudia. And the article was included in Journal of Medicinal Chemistry in 2005.Computed Properties of C10H11FO2 This article mentions the following:

A series of 2-phenyl[1,2,3]triazolo[1,2-a][1,2,4]benzotriazin-1,5(6H)-diones (PTBTs), were prepared and tested at the central benzodiazepine receptor (BzR). The skeleton of these compounds was designed by formally combining the N-C:O moieties of the known BzR ligands, triazoloquinoxalines and triazinobenzimidazoles (ATBIs). Most of the PTBTs displayed submicromolar/nanomolar potency at the BzR. The 9-chloro derivatives were generally found to be more potent than their 9-unsubstituted counterparts. Compound (I) turned out to be the most potent of the PTBTs (K_i 2.8 nM). A subset of compounds when tested for their affinity on recombinant rat α1β2γ2, α2β2γ2, and α5β3γ2 GABA_A/Bz receptor subtypes, showed enhanced affinities for the α1β2γ2 isoform, with compounds I and (II) exhibiting the highest selectivity. Moreover, compounds I and II were found to display a full agonist efficacy profile at α1 and α2 receptor subtypes, and an antagonist efficacy at α5-containing receptors. In the experiment, the researchers used many compounds, for example, Ethyl 2-fluorophenylacetate (cas: 584-74-7Computed Properties of C10H11FO2).

Ethyl 2-fluorophenylacetate (cas: 584-74-7) 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.Computed Properties of C10H11FO2

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

Toxicity of citronella essential oil and its nanoemulsion against the sawtoothed grain beetle Oryzaephilus surinamensis (Coleoptera: Silvanidae) was written by Gharsan, Fatehia Nasser;Kamel, Walaa Mohamed;Alghamdi, Tariq Saeed;Alghamdi, Azla Aedh;Althagafi, Abeer Olayana;Aljassim, Fatima Jasim;Al-Ghamdi, Sameera Nasser. And the article was included in Industrial Crops and Products in 2022.SDS of cas: 105-87-3 This article mentions the following:

Sawtoothed grain beetles, Oryzaephilus surinamensis (Coleoptera: Silvanidae), cause severe damage to various stored products, reducing their quality and nutritional value. Several chem. pesticides have been introduced to control this pest and mitigate damage, but these pesticides also affect human health and the environment, enticing researchers to seek safer products and technol., such as plant-based products and nanotechnol. In this study, we compared the effectiveness of citronella essential oil and its nanoemulsion in controlling O. surinamensis adults. The citronella essential oil was obtained through hydrodistillation, and analyzed using gas chromatog. (GC) and GC/mass spectrometry MS based on the GC-MS anal., the predominant compounds were citronellal (46.95%), citronellol (9.49%), linalool (9.46%), β-caryophyllene (8.39%). The particles size of the prepared nanoemulsion was 57.98 nm. The lethal concentration that causes 50% mortality (LC50) in O. surinamensis adults for the pure essential oil and its nanoemulsion was 10, 15, 20, and 25 μL/L. The nanoemulsion was more effective against both females (LC50 = 20.3 μL/L) and males (LC50 = 15.7 μL/L) than the pure essential oil (LC50 = 40.02 and 52.5 μL/L, resp.). There was a significant difference in toxicity between the pure essential oil and its nanoemulsion. In addition, there were statistically significant differences (P < 0.05) between males and females when using citronella nanoemulsion only. In conclusion, citronella nanoemulsion is effective in controlling O. surinamensis and represents a promising alternative to chem. pesticides for protecting stored products. 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. 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: 105-87-3

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

Synthesis of the related substances of Nilotinib hydrochloride was written by Huang, Junjie;Liao, Mingyi;Guo, Qi;You, Qidong. And the article was included in Zhongguo Yiyao Gongye Zazhi in 2016.Electric Literature of C10H13NO2 This article mentions the following:

To strengthen the quality control of Nilotinib hydrochloride, five related substances of Nilotinib were synthesized based on its synthetic process. These substances, including 3-[4-(pyridin-3-yl) pyrimidin-2-ylamino]-4-methylbenzoic acid (A), 3-[4-(pyridin-3-yl) pyrimidin-2-ylamino]-N-[3-(4-ethyl-1H-imidazol-1-yl)-5-(trifluoromethyl) phenyl]-4-methylbenzamide (B), 3-[4-(pyridin-3-yl) pyrimidin-2-ylamino]-N-[3-(trifluoromethyl)-5-(1H-imidazol-1-yl) phenyl]-4-methylbenzamide (C), 3-[4-(pyridin-3-yl) pyrimidin-2-ylamino]-N-[3-(trifluoromethyl)-5-(2,4-dimethyl-1H-imidazol-1-yl) phenyl]-4-methylbenzamide (D), 3-[4-(pyridin-3-yl) pyrimidin-2-ylamino]-N-[3-(trifluoromethyl)-5-(5-methyl-1H-imidazol-1-yl) phenyl]-4-methylbenzamide (E), were synthesized and their structures were confirmed by MS and ¹H NMR. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Electric Literature of C10H13NO2).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters 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 C10H13NO2

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

Sulfonium, an Underestimated Moiety for Structural Modification, Alters the Antibacterial Profile of Vancomycin Against Multidrug-Resistant Bacteria was written by Guan, Dongliang;Chen, Feifei;Qiu, Yunguang;Jiang, Bofeng;Gong, Likun;Lan, Lefu;Huang, Wei. And the article was included in Angewandte Chemie, International Edition in 2019.Electric Literature of C16H22O11 This article mentions the following:

In the antibiotics arsenal, vancomycin is a last resort for the treatment of intractable infections. However, this situation is under threat because of the increasing appearance of vancomycin-resistant bacteria (VRB). Herein, we report a series of novel vancomycin derivatives carrying a sulfonium moiety. The sulfonium-vancomycin derivatives exhibited enhanced antibacterial activity against VRB both in vitro and in vivo. These derivatives also exhibited activity against some Gram-neg. bacteria. The sulfonium modification enhanced the interaction of vancomycin with the bacterial cell membrane and disrupts membrane integrity. Furthermore, the in vivo pharmacokinetic profile, stability, and toxicity of these derivatives demonstrated good druggability of the sulfonium-vancomycin analogs. This work provides a promising strategy for combating drug-resistant bacterial infection, and advances the knowledge on sulfonium derivatives for structural optimization and drug development. 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: 4163-60-4Electric Literature 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. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Electric Literature of C16H22O11

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

Design, synthesis, and biological evaluation of imidazo [1,2-a] pyridine derivatives as acetylcholinesterase inhibitors was written by Boppana, Sriramamurthy;Ahmed, Faiyaz;Chandra, Narendra Sharath J. N.;Rangappa, Kanchugarakoppal S.;Urooj, Asna. And the article was included in Journal of Pharmacy Research in 2010.Recommanded Product: Methyl 2-aminonicotinate This article mentions the following:

To explore novel and effective drugs for the treatment of Alzheimers disease(AD), a series of inhibitors of acetylcholinesterase (AChE) were designed based on the Structure-based generation of a novel series of AchE inhibitors were carried out with crystal structure of acetylcholine esterase complexed with choline (PDB: 2HA3) obtained from protein data. Among synthesized inhibitor 7(a-e) exhibited good potency in enzyme inhibitory potency AChE: IC= 55 ± 0.53M, 73 ± 0.37M, and 51 ± 0.37M, 73 ± 0.40M, 48±0.75M, 7b and 7C also showed moderate to good activity in acetylcholinesterase assay in vitro using different sources of acetylcholinesterase studied (rat brain, human serum and elec. eel). In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Recommanded Product: Methyl 2-aminonicotinate).

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. 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. Recommanded Product: Methyl 2-aminonicotinate

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

Tetrahydro- and octahydropyrido[1,2-a]pyrimidin-4-ones was written by Yale, Harry L.;Spitzmiller, Ervin R.. And the article was included in Journal of Heterocyclic Chemistry in 1976.Related Products of 14667-47-1 This article mentions the following:

The catalytic hydrogenation of the pyridopyrimidines I [R = Me, Pr, Ph; R1 = H, Me; R2 = 9-Me, 8-Me, 9-HO; R = Me, R1 = H, R2 = 9-CO2H, 9-CO2Et, 9-CONH2, 9-CONHMe, 9-CO2Me, 9-CONH(CH2)3NMe2] gave II and fully saturated, octahydro analogs. In the PMR spectra of II [R = Me, R1 = H, R2 = 9-CO2H, 9-CO2Et, 9-CO2Me, 9-CONH2, 9-CONHMe, CONH(CH2)3NMe2] there was evidence of a facile 1,3-prototropic shift of the proton from position-9 to position-1, resulting in equilibrium between tautomeric species. The ratio of tautomers present at equilibrium, with the esters, favored the enamine conformation, but with both the carboxylic acid and the amides the imine structure predominated. Supportive evidence for the enamine structure with the esters was derived also from the ir spectra. Alkylation of the anion derived from the tetrahydro 9-carbomethoxy derivative with NaH led exclusively to derivatives of the 6,7,8,9-tetrahydro system. 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 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 14667-47-1

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

Studies on changes in scalp odor of women with aging was written by Yokoyama, Hiromi;Mochizuki, Yuji;Kaneko, Yuki;Fukushima, Kazuhiro;Takahashi, Kyoko. And the article was included in Nippon Aji to Nioi Gakkaishi in 2021.Recommanded Product: 706-14-9 This article mentions the following:

In recent years, people’s awareness of changes in body odor associated with aging has increased, and interest in odor etiquette has increased. The author have so far conducted research on changes in body odor in women with aging and in the course of further awareness surveys, it became clear that many women felt that their scalp odor had changed with age. However, although research on scalp odor has been conducted, research on changes in scalp odor with age has not made much progress. Therefore, in this study, the author evaluated the scalp odor of women in their tens to 50s, and investigated changes in women’s scalp equipment with aging. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Recommanded Product: 706-14-9).

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

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

Fractionated stir bar sorptive extraction using conventional and solvent-assisted approaches for enhanced identification capabilities of aroma compounds in beverages was written by Ochiai, Nobuo;Sasamoto, Kikuo;Sasaki, Tetsuya;David, Frank;Sandra, Pat. And the article was included in Journal of Chromatography A in 2020.SDS of cas: 695-06-7 This article mentions the following:

For successful profiling of aroma carriers in food samples, a highly efficient extraction method is mandatory. A two-step stir bar sorptive extraction (SBSE) approach, namely fractionated SBSE (Fr-SBSE), was developed to improve both the organoleptic and the chem. identification of aroma compounds in beverages. The first extraction consists of a conventional mSBSE using three polydimethylsiloxane (PDMS) stir bars (1stmSBSE). This is followed by a solvent-assisted mSBSE performed on the same sample using three solvent-swollen PDMS stir bars (2nd SA-mSBSE). The 1stmSBSE mainly extracts apolar/medium polar solutes with log Kow values >2, while the 2nd SA-mSBSE mainly extracts polar solutes with log Kow values <2. After this two-step fractionation procedure, either thermal desorption (TD) or liquid desorption – large volume injection (LD-LVI), followed by GC-MS is performed on each set of three stir bars. A real-life sample of roasted green tea was used for method development. The performance of the Fr-SBSE method is further illustrated with sensory evaluations and GC-MS anal. for a stout beer sample. Compared to an extraction procedure with SA-mSBSE only, Fr-SBSE including a 1stmSBSE and a 2nd SA-mSBSE reduced co-elution of aroma compounds in the chromatograms and was capable of providing improved mass spectral quality for identification of 17 addnl. compounds in roasted green tea, and 12 addnl. compounds in stout beer, resp. Moreover, odor description and characterization were clearly improved. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7SDS of cas: 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. 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.SDS of cas: 695-06-7

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

Prenatal Exposure to Emerging Plasticizers and Synthetic Antioxidants and Their Potency to Cross Human Placenta was written by Tang, Shuqin;Sun, Xiangfei;Qiao, Xinhang;Cui, Wenxuan;Yu, Feixiang;Zeng, Xiaowen;Covaci, Adrian;Chen, Da. And the article was included in Environmental Science & Technology in 2022.SDS of cas: 106-79-6 This article mentions the following:

Gestational exposure to environmental chems. and subsequent permeation through the placental barrier represents potential health risks to both pregnant women and their fetuses. In the present study, we explored prenatal exposure to a suite of 46 emerging plasticizers and synthetic antioxidants (including five transformation products of 2,6-di-tert-butyl-4-hydroxytoluene, BHT) and their potency to cross human placenta based on a total of 109 maternal and cord serum pairs. Most of these chems. have rarely or never been investigated for prenatal exposure and associated health risks. Eleven of them exhibited detection frequency greater than 50% in maternal blood, including di-Bu fumarate (DBF), 2,6-di-tert-butylphenol (2,4-DtBP), 1,3-diphenylguanidine (DPG), methyl-2-(benzoyl)benzoate (MBB), tri-Et citrate (TEC), BHT, and its five metabolites, with a median concentration from 0.05 to 3.1 ng/mL. The transplacental transfer efficiency (TTE) was determined for selected chems. with valid measurements in more than 10 maternal/cord blood pairs, and the mean TTEs exhibited a large variation (i.e., 0.29-2.14) between chems. The determined TTEs for some of the target chems. were comparable to the predicted values by our previously proposed models developed from mol. descriptors, indicating that their transplacental transfer potency could be largely affected by physicochem. properties and mol. structures. However, addnl. biol. and physiol. factors may influence the potency of environmental chems. to cross human placenta. Overall, our study findings raise concern on human exposure to an increasing list of plastic additives during critical life stages (e.g., pregnancy) and potential health risks. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6SDS of cas: 106-79-6).

Dimethyl decanedioate (cas: 106-79-6) 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: 106-79-6

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