Month: February 2023

Identification of Cytotoxic Flavor Chemicals in Top-Selling Electronic Cigarette Refill Fluids was written by Hua, My;Omaiye, Esther E.;Luo, Wentai;McWhirter, Kevin J.;Pankow, James F.;Talbot, Prue. And the article was included in Scientific Reports in 2019.Reference of 118-61-6 This article mentions the following:

We identified the most popular electronic cigarette (EC) refill fluids using an Internet survey and local and online sales information, quantified their flavor chems., and evaluated cytotoxicities of the fluids and flavor chems. “Berries/Fruits/Citrus” was the most popular EC refill fluid flavor category. Twenty popular EC refill fluids were purchased from local shops, and the ingredient flavor chems. were identified and quantified by gas chromatog.-mass spectrometry. Total flavor chem. concentrations ranged from 0.6 to 27.9 mg/mL, and in 95% of the fluids, total flavor concentration was greater than nicotine concentration The 20 most popular refill fluids contained 99 quantifiable flavor chems.; each refill fluid contained 22 to 47 flavor chems., most being esters. Some chems. were found frequently, and several were present in most products. At a 1% concentration, 80% of the refill fluids were cytotoxic in the MTT assay. Six pure standards of the flavor chems. found at the highest concentrations in the two most cytotoxic refill fluids were effective in the MTT assay, and ethyl maltol, which was in over 50% of the products, was the most cytotoxic. These data show that the cytotoxicity of some popular refill fluids can be attributed to their high concentrations of flavor chems. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Reference of 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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. 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. Reference of 118-61-6

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

Cyclization during the dehydrohalogenation of perfluoroalkyl-substituted iodoalkylmalonates. Thermal rearrangement of the derived 2-(perfluoroalkyl)methylcyclopropane-1,1-dicarboxylates was written by Brace, Neal O.. And the article was included in Journal of Organic Chemistry in 1975.Reference of 17920-23-9 This article mentions the following:

Addnl. data considered in abstracting and indexing are available from a source cited in the original document. Perfluoroalkylmalonates, RCH2CHICH2CH(CO2Et)2 [R= (CF3)2CF, CF3(CF2)n, n= 2,3,5] cyclized with NaOH in aqueous and nonaqueous systems to give cyclopropanedicarboxylic acids and esters (I; R= same as above; R1= H, Et) in excellent yields. I [R= CF3(CF2)n, n= 2,3; R1= Et] rearranged thermally at 225-240° by a sigmatropic, 1,5-H shift to the corresponding RCH:CHCH2CH(CO2Et)2. I [R= CF3(CF2)n, n= 2,3; R1= H] decarboxylated and rearranged at 145-200° to a mixture of RCH:CHCH2CH2CO2H (II; R same as above) and cis- and trans-III (R same as above). At reduced CO2 pressure rearrangement was almost completely suppressed in favor of decarboxylation to III. Cis-III, but not trans-III slowly isomerized at a higher temperature to II. A concerted rearrangement and decarboxylation of I (R same as above; R1= H) facilitated by both opening of the strained ring and release of CO2, was suggested. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Reference of 17920-23-9).

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.Reference of 17920-23-9

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

Pyrene-Based Porous Organic Polymers as Efficient Catalytic Support for the Synthesis of Biodiesels at Room Temperature was written by Kundu, Sudipta K.;Bhaumik, Asim. And the article was included in ACS Sustainable Chemistry & Engineering in 2015.Related Products of 106-79-6 This article mentions the following:

New pyrene-based microporous organic polymers PPOP-1, PPOP-2, and PPOP-3 have been synthesized via Friedel-Crafts alkylation reaction between pyrene and bis(1,4-dibromomethyl)benzene at their different molar ratios in the presence of a Lewis acid catalyst FeCl₃ under refluxing conditions. Pore surfaces of PPOP-1, PPOP-2, and PPOP-3 have been functionalized by -SO₃H groups via chlorosulfonic acid treatment under controlled reaction conditions to obtain sulfonated porous organic polymers, and these are designated as SPPOP-1, SPPOP-2, and SPPOP-3, resp. Powder X-ray diffraction, N₂ sorption, HR-TEM, FE-SEM, NH₃-TPD, solid state ¹³C CP MAS-NMR, and FT-IR spectroscopic tools are employed to characterize these materials. These sulfonated porous polymers showed nanofiber-like or spherical morphol., very high surface acidity, and excellent catalytic activity for the synthesis of biodiesels via esterification/transesterification of long chain fatty acids/esters at room temperature together with very high recycling efficiency, suggesting the future potential of these sulfonated porous polymers in a wide range of sustainable acid-catalyzed chem. reactions. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Related Products of 106-79-6).

Dimethyl decanedioate (cas: 106-79-6) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. 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 106-79-6

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

Effect of “Late Harvest” of Hops (Humulus lupulus L.) on the Contents of Volatile Thiols in Furano Beauty, Furano Magical, and Cascade Varieties was written by Uemoto, Mitsuhiro;Takoi, Kiyoshi;Tanigawa, Atsushi;Takazumi, Koji;Ogushi, Kensuke;Koie, Koichiro;Suda, Narushi. And the article was included in Journal of Agricultural and Food Chemistry in 2022.COA of Formula: C12H20O2 This article mentions the following:

In recent years, many hop varieties with unique aromas, so-called “flavor hops”, have been bred and grown. Here, we investigated the effect of late-harvested hops using three flavor hop varieties; Furano Beauty, Furano Magical, and Cascade. The sample hops were harvested at different days after flowering (DAF): DAF 45 (normal harvest), DAF 65, DAF 75, and DAF 85. We measured the volatile thiols in sample cones. The results indicated that 4-methyl-4-sulfanylpentane-2-one contents showed almost no change or a slightly decrease with a delay in harvest, whereas 3-sulfanyl-4-methylpentan-1-ol (3S4MP) content in late-harvested samples increased several fold in comparison with normal-harvested samples. Addnl., 3S4MP contents in the beers brewed with DAF 65 samples were several times higher than those using DAF 45 ones. From these results, we propose a new method to control 3S4MP content in hop cones by changing its harvest date. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3COA of Formula: C12H20O2).

(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. 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. COA of Formula: C12H20O2

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

Design, synthesis, and anti-proliferative evaluation of new quinazolin-4(3H)-ones as potential VEGFR-2 inhibitors was written by El-Adl, Khaled;El-Helby, Abdel-Ghany A.;Ayyad, Rezk R.;Mahdy, Hazem A.;Khalifa, Mohamed M.;Elnagar, Hamdy A.;Mehany, Ahmed B. M.;Metwaly, Ahmed M.;Elhendawy, Mostafa A.;Radwan, Mohamed M.;ElSohly, Mahmoud A.;Eissa, Ibrahim H.. And the article was included in Bioorganic & Medicinal Chemistry in 2021.Related Products of 118-61-6 This article mentions the following:

Inhibiting VEGFR-2 has been set up as a therapeutic strategy for treatment of cancer. Thus, nineteen new quinazoline-4(3H)-one derivatives were designed and synthesized. Preliminary cytotoxicity studies of the synthesized compounds were evaluated against three human cancer cell lines (HepG-2, MCF-7 and HCT-116) using MTT assay method. Doxorubicin and sorafenib were used as pos. controls. Five compounds were found to have promising cytotoxic activities against all cell lines. Compound 16f, containing a 2-chloro-5-nitrophenyl group, has emerged as the most active member. It was approx. 4.39-, 5.73- and 1.96-fold more active than doxorubicin and 3.88-, 5.59- and 1.84-fold more active than sorafenib against HepG2, HCT-116 and MCF-7 cells, resp. The most active cytotoxic agents were further evaluated in vitro for their VEGFR-2 inhibitory activities. The results of in vitro VEGFR-2 inhibition were consistent with that of the cytotoxicity data. Mol. docking of these compounds into the kinase domain, moreover, supported the results. 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

Metabolite data of germinated Bambara groundnut flour and starch extracted with two different solvents was written by Oyedeji, Ajibola Bamikole;Chinma, Chiemela Enyinnaya;Green, Ezekiel;Adebo, Oluwafemi Ayodeji. And the article was included in Data in Brief in 2021.Formula: C20H26O4 This article mentions the following:

The data presented in this study represents the profile of metabolites of germinated Bambara groundnut flour (GBF) and starch (GBS) extracted using two different extraction solvents. Bambara groundnuts obtained from a local agro market in Minna, Niger State, Nigeria were germinated at 28 ± 1°C for 24, 48 and 72 h, dried and then processed into flour and starch. Raw Bambara groundnuts (0 h) were also processed into flour and starch and served as controls. Samples at the different germination times were extracted using methanol/water (80:20vol./volume) and acetonitrile/methanol/water (40:40:20 volume/volume/v), concentrated, reconstituted and analyzed on a gas chromatog.-high resolution time of flight-mass spectrometer (GC-HRTOF-MS). Data obtained were classified into compound groups such as acids, alcs., cyclic compounds, esters, ketones, phytosterols, vitamins and many others, and their characteristics such as the retention time, observed mass, mol. formular and mean peak areas were reported. These data represent the collection of metabolites in GBF and GBS and may be useful for the identification and utilization of functional compounds in foods. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Formula: C20H26O4).

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

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

Chemical analysis of polymer degradation was written by Mizukado, Junji;Miura, Makiko;Kitada, Yukio. And the article was included in Seikei Kako in 2021.Reference of 6683-19-8 This article mentions the following:

Deterioration due to heat of PP, which is discussed in this paper, especially when it is deteriorated by accelerated deterioration test, is affected by the structure of PP itself, but it is greatly affected by additives such as antioxidants and Many, the internal cause is mainly the type and concentration of the antioxidant, and the external cause is heat. However, when analyzing the deterioration of market-recovered products, it is necessary to consider various possibilities including the internal cause because the external cause is not clear. In addition, since the case where durability depends on antioxidants often applies to other polymers, the author like to consider this PP as one subject. In the experiment, the researchers used many compounds, for example, 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8Reference of 6683-19-8).

2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 6683-19-8

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

Chiral Iridium Catalysts Bearing Spiro Pyridine-Aminophosphine Ligands Enable Highly Efficient Asymmetric Hydrogenation of β-Aryl β-Ketoesters was written by Xie, Jian-Hua;Liu, Xiao-Yan;Yang, Xiao-Hui;Xie, Jian-Bo;Wang, Li-Xin;Zhou, Qi-Lin. And the article was included in Angewandte Chemie, International Edition in 2012.Synthetic Route of C12H14O3 This article mentions the following:

A highly efficient asym. hydrogenation of β-dicarbonyl compounds, including β-ketoesters, β-ketoamides and β-diketones, catalyzed by iridium complexes with SpiroPAP (spiro pyridine-aminophosphine) ligands is reported. The reaction provides β-hydroxy esters/amides and diols in excellent enantioselectivity (up to 99.8% ee) and extremely high TONs (up to 1230000), which represents the highest level of efficiency in the asym. hydrogenation of β-ketoesters. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9Synthetic Route of C12H14O3).

Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Synthetic Route of C12H14O3

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

Rapid Discovery and Structure-Activity Profiling of Novel Inhibitors of Human Immunodeficiency Virus Type 1 Protease Enabled by the Copper(I)-Catalyzed Synthesis of 1,2,3-Triazoles and Their Further Functionalization was written by Whiting, Matthew;Tripp, Jonathan C.;Lin, Ying-Chuan;Lindstrom, William;Olson, Arthur J.;Elder, John H.;Sharpless, K. Barry;Fokin, Valery V.. And the article was included in Journal of Medicinal Chemistry in 2006.Formula: C16H24N2O4 This article mentions the following:

Building from the results of a computational screen of a range of triazole-containing compounds for binding efficiency to human immunodeficiency virus type 1 protease (HIV-1-Pr), a novel series of potent inhibitors has been developed. The copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC), which provides ready access to 1,4-disubstituted-1,2,3-triazoles, was used to unite a focused library of azide-containing fragments with a diverse array of functionalized alkyne-containing building blocks. In combination with direct screening of the crude reaction products, this method led to the rapid identification of a lead structure and readily enabled optimization of both azide and alkyne fragments. Replacement of the triazole with a range of alternative linkers led to greatly reduced protease inhibition; however, further functionalization of the triazoles at the 5-position gave a series of compounds with increased activity, exhibiting K_i values as low as 8 nM. In the experiment, the researchers used many compounds, for example, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9Formula: C16H24N2O4).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) 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. 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.Formula: C16H24N2O4

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

Synthesis of Cross-Conjugated Polyenes via Palladium-Catalyzed Oxidative C-C Bond Forming Cascade Reactions of Allenes was written by Naidu, Veluru Ramesh;Baeckvall, Jan-E.. And the article was included in Journal of Organic Chemistry in 2020.Application of 17920-23-9 This article mentions the following:

An efficient palladium-catalyzed oxidative C-C bond forming cascade reaction of allenes involving a coupling between an enallene and an allenyne followed by a carbocyclization of the generated Pd-intermediate was developed. This cascade reaction afforded functionalized cross-conjugated polyenes. The enallene is initially activated by palladium and reacts with the allenyne to give the cross-conjugated polyenes. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Application of 17920-23-9).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Application of 17920-23-9

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