Month: December 2022

Organic micropollutants and disinfection byproducts removal from drinking water using concurrent anion exchange and chlorination process was written by Li, Xiuwen;Li, Aimin;Li, Zekai;Sun, Hongfang;Shi, Peng;Zhou, Qing;Shuang, Chendong. And the article was included in Science of the Total Environment in 2021.Electric Literature of C20H26O4 This article mentions the following:

Many traditional drinking water treatment processes have limited removal efficiencies on natural organic matter (NOM) and organic micropollutants (OMPs), and thus may lead to the production of harmful disinfection byproducts (DBPs). We examined four kinds of anion exchange resins (D205, D213, NDMP-3, and M80) in conjunction with chlorination in the treatment of drinking water. Five categories including 40 OMPs at environmentally relevant concentrations were analyzed. M80 showed the best performance to remove OMPs in water. However, it was vulnerable to the presence of humic acid (HA), indicating its limitation on removing OMPs and NOM at the same time. In contrast, D205, D213, NDMP-3 resins were less affected by HA. Besides, D205, D213 and NDMP-3 provided higher efficiencies on the reduction of DBPs than M80. The amount of trihalomethanes (THMs) lowered by 42.7%, 37.6%, 32.1%, and 0%, whereas haloacetic acids (HAAs) were decreased by 34.0%, 31.2%, 23.0%, and 17.9% by D205, D312, NDMP-3, and M80. Notably, D205 showed the highest removal effects on the bromide ion, brominated THMs, and HAAs, supporting that D205 can be a selective resin for the treatment of drinking water in high bromide-containing areas. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Electric Literature of C20H26O4).

Dicyclohexyl phthalate (cas: 84-61-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. 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.Electric Literature of C20H26O4

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

Elucidation of the impact of different drying methods on the key odorants of Toona sinensis (A. Juss.) Roem. using the sensomics approach was written by Zhai, Xiaoting;Granvogl, Michael. And the article was included in Journal of Agricultural and Food Chemistry in 2020.Product Details of 868-57-5 This article mentions the following:

The sensomics approach was applied to both green and red Toona sinensis (TS) varieties dried with different methods (freeze drying, solar drying, and oven drying) to elucidate their influences on the key odorants in TS. Odorant screening via comparative aroma dilution anal. revealed eugenol with the highest flavor dilution factor in all six samples. Quantitation of 44 odorants via stable isotope dilution assays and semiquantitation of six compounds via an internal standard method showed (E,E)-, (E,Z)-, and (Z,Z)-di-1-propenyl disulfide, di-Me sulfide, β-ionone, eugenol, cis- and trans-2-mercapto-3,4-dimethyl-2,3-dihydrothiophene, 2- and 3-methylbutanal, and 2-isopropyl-3-methoxypyrazine with high odor activity values (OAVs) in all samples. Differences were found for (E,Z)-2,6-nonadienal, (E,E)-, (E,Z)-, and (Z,Z)-di-1-propenyl trisulfide, 3-methylnonane-2,4-dione, and (E)-2-hexenal with clearly higher OAVs in freeze-dried (FDTS) and solar-dried TS (SDTS) compared to those in oven-dried TS (ODTS). Linalool, 2-methoxyphenol, and 4-ethylphenol (the latter two only for red TS) were obtained with high OAVs only in FDTS. In general, ODTS showed the lowest OAVs, whereas FDTS as the gentlest drying process revealed the highest OAVs for most odorants and, consequently, the highest aroma quality. However, the overall aroma of SDTS did not differ too much from that of FDTS, and thus, solar drying as a much easier and cheaper technique might be the best choice. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Product Details of 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) 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 868-57-5

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

Radical C-H functionalization of heteroarenes under electrochemical control was written by O’Brien, Alexander G.;Maruyama, Akinobu;Inokuma, Yasuhide;Fujita, Makoto;Baran, Phil S.;Blackmond, Donna G.. And the article was included in Angewandte Chemie, International Edition in 2014.Related Products of 2199-49-7 This article mentions the following:

Electrochem. reactions are shown to be effective for the C-H functionalization of a number of heterocyclic substrates that are recalcitrant to conventional peroxide radical initiation conditions. Monitoring reaction progress under electrochem. conditions provides mechanistic insight into the C-H functionalization of a series of heterocycles of interest in medicinal chem. In the experiment, the researchers used many compounds, for example, Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7Related Products of 2199-49-7).

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7) 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.Related Products of 2199-49-7

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

Cinnamomum camphora fruit peel as a source of essential oil extracted using the solvent-free microwave-assisted method compared with conventional hydrodistillation was written by Liu, Zaizhi;Li, Hualan;Zhu, Zheng;Huang, Dai;Qi, Yanlong;Ma, Chunhui;Zou, Zhengrong;Ni, Hiyan. And the article was included in LWT–Food Science and Technology in 2022.Quality Control of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate This article mentions the following:

In the present study, essential oil from Cinnamomum camphora fruit peel was first separated and characterized by GC-MS. Solvent-free microwave-assisted extraction (SFME) was performed to isolate the essential oil, and the extraction procedure was optimized using a Box-Behnken design. The optimum SFME conditions yielded 80.35 ± 1.88 mg/g of essential oil with 76% moisture content, using a microwave irradiation power of 420 W and an irradiation time of 22 min. No obvious difference was observed between phys. constants of essential oil extracted by SFME and hydrodistillation (HD). SEM micrographs demonstrated more disruption of C. camphora fruit peel cells treated with SFME than by conventional HD. SFME was proposed as an energy-saving, high-efficiency, and environmentally friendly method, as evidenced by its higher yield and volumetric mass transfer coefficient, larger proportions of oxygen compounds, lower consumption of electricity, and lower amounts of CO₂ release and water waste compared to conventional HD. The results show that a once-discarded part of C. camphora can be utilized as a source for the production of essential oil. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Quality Control of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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. 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.Quality Control of (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate

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

Synthesis of bridgehead-substituted bicyclo[2.2.1]heptanes by radical cyclization was written by Della, Ernest W.;Knill, Andrew M.;Pigou, Paul E.. And the article was included in Journal of Organic Chemistry in 1993.Computed Properties of C10H16O2 This article mentions the following:

A kinetic investigation shows that the rate of cyclization (k_C) of the (4-methylenecyclohexyl)methyl radical (I) at 25° is 4.4 × 10² s^-1, considerably slower than that (2.3 × 10⁵ s^-1) of the parent 5-hexenyl radical. The activation energy for the cyclization is 12.8 kcal mol^-1, which is in excellent agreement with theor. values derived from force-field calculations Ring closure of appropriately substituted (4-methylenecyclohexyl)methyl radical precursors allows the synthesis of bicyclo[2.2.1]heptyl systems with useful functionality at the bridgehead to be achieved readily and in high yield. An interesting example is given of the application of an iodine-atom-transfer cyclization to the synthesis of a bicyclo[2.2.1]heptane functionalized at C-7 and C-1. In the experiment, the researchers used many compounds, for example, Ethyl 4-methylenecyclohexanecarboxylate (cas: 145576-28-9Computed Properties of C10H16O2).

Ethyl 4-methylenecyclohexanecarboxylate (cas: 145576-28-9) 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.Computed Properties of C10H16O2

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

Pen G acylase catalyzed resolution of phenylacetate esters of secondary alcohols was written by Baldaro, E.;D’Arrigo, P.;Pedrocchi-Fantoni, G.;Rosell, C. M.;Servi, S.;Tagliani, A.;Terreni, M.. And the article was included in Tetrahedron: Asymmetry in 1993.Synthetic Route of C11H14O3 This article mentions the following:

Penicillin G acylase from E. coli (Pen G acylase) (EC 3.5.1.11) immobilized on Eupergit C is used for the kinetic resolution of phenylacetate esters of secondary alcs. of pharmaceutical interest. Thus, treatment of racemic esters (RS)-PhCH₂CO₂CHRR¹ (R = Me, Et, CH:CH₂, CH₂Ph, CO₂Et, CO₂Me, CH₂CH₂Cl, CH₂CO₂Et; R¹ = Me, Ph, CH₂CH₂Ph) gave chiral alcs. I in 10 to >98% enantiomeric excess. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Synthetic Route of C11H14O3).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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 C11H14O3

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

Synthesis and properties of an optically active helical bis-cobaltocenium ion was written by Gilbert, Adam M.;Katz, Thomas J.;Geiger, William E.;Robben, Matthew P.;Rheingold, Arnold L.. And the article was included in Journal of the American Chemical Society in 1993.Category: esters-buliding-blocks This article mentions the following:

The optically active helical bis-cobaltocenium salt I is synthesized, as are two related monocobaltocenium salts, 29 and 30. The structure of I is analyzed by x-ray diffraction, which shows that the metals are separated by 8.49 Å. Reducing I either electrochem. or with K(Hg) produces species that absorb near 920 nm, but the absorption is not an intervalence transition. It originates instead from isolated Co(II) centers. This is demonstrated by the reduction product of 29, which has only one cobalt, also absorbing at a similar wavelength (λ_max = 957 nm). The optical and ESR spectra imply that the unpaired electron in monoreduced I is largely localized on cobalt and that direduced I is essentially a Co(II)/Co(II) diradical. The difference between two Co(III)/Co(II) reduction potentials of I, 130 mV, is shown to be appropriate for a conjugated dimetallocene with metals so distant. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Category: esters-buliding-blocks).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) 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. 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

A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect was written by Yang, Lu;Zhao, Liang;Zhou, Zhen;He, Cheng;Sun, Hui;Duan, Chunying. And the article was included in Dalton Transactions in 2017.Reference of 1190-39-2 This article mentions the following:

A discrete tetranuclear thiourea-based metal-organic macrocycle (MOM) with a large size was constructed by a well-designed organic ligands 1-(2-pyridylmethyleneamino)-3-[4-[4-[(2-pyridylmethyleneamino)carbamothioylamino]phenyl]sulfonylphenyl]thiourea (SPT) and 1-(2-pyridylmethyleneamino)-3-[3-[(2-pyridylmethyleneamino)carbamothioylamino]phenyl]thiourea (PDT) with nickel(II) ions via self-assembly. Incorporation of thiourea groups as hydrogen-bond donors into a metal-organic complex system led to a new approach for synthesis of functionalized heterogeneous catalysts, as this not only introduced coordination sites serving as chelators, but also overcomes the issues of self-association via intermol. H-bonding, often occurring in homogeneous systems. The packing structure of this material formed a confined environment suitable for the access of substrate mols. dragged by the strong hydrogen-bond interactions from the thiourea groups, thus achieving a high catalytic performance in Michael additions of β-nitrostyrenes to nitroalkanes I [R = C₆H₅, 4-ClC₆H₄, 4-MeC₆H₄, etc.], with remarkable yields and size-selectivity in heterogeneous phase. Moreover, a comparison of the IR spectrum of Ni-SPT with the spectra of di-Me malonate- and β-nitrostyrene-impregnated Ni-SPT indicated that both substrate mols., β-nitrostyrene and di-Me malonate, were able to access the cavity of the trimeric subunit. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Reference of 1190-39-2).

malonic acid dibutyl ester (cas: 1190-39-2) 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. Reference of 1190-39-2

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

Design, Synthesis, and Structure-Activity Relationship Studies of 3,4,6-Triphenylpyran-2-ones as Selective Cyclooxygenase-2 Inhibitors was written by Rao, P. N. Praveen;Uddin, Jashim Md.;Knaus, Edward E.. And the article was included in Journal of Medicinal Chemistry in 2004.COA of Formula: C10H11FO2 This article mentions the following:

A group of regioisomeric 3,4,6-triphenylpyran-2-ones with a MeSO₂ pharmacophore at the para-position of either a C-3 Ph or a C-4 Ph substituent on the central six-membered pyran-2-one ring were prepared and evaluated in vitro for their abilities to inhibit the isoenzymes COX-1 and COX-2. Structure-activity relationship (SAR) data, acquired by substituent modification at the para-position of the C-6 Ph ring attached to the central pyranone, showed that 6-(4-methoxyphenyl)-3-(4-methanesulfonylphenyl)-4-phenylpyran-2-one (I)was the most potent and selective COX-2 inhibitor (COX-2 IC₅₀ = 0.02 μM; COX-1 IC₅₀ > 100 μM) with a high COX-2 selectivity index (SI > 5000) relative to the reference drugs celecoxib and rofecoxib. I was a more potent oral antiinflammatory agent (ID₅₀ = 5.6 mg/kg) than celecoxib in a carrageenan-induced rat paw edema assay. In a 4% NaCl-induced abdominal constriction assay, a 5 mg/kg oral dose of I exhibited good analgesic activity at different time intervals producing 37.5 and 69% inhibition of writhing at 30 and 60 min, resp. In contrast, the corresponding 6-(4-methoxyphenyl)-4-(4-methanesulfonylphenyl)-3-phenylpyran-2-one regioisomer was a less potent and selective COX-2 inhibitor (COX-2 IC₅₀ = 0.45 μM; SI = 70). A mol. modeling study for I indicated that the p-OMe substituent on the C-6 Ph ring interacts with the COX-2 binding site amino acids Ile³⁴⁵, Val³⁴⁹, Leu³⁵⁹, Leu⁵³¹, and Met⁵³⁵ and that the OMe substituent may be responsible for proper orientation of the C-3 p-SO₂Me-Ph ring within the COX-2 secondary pocket (Gln¹⁹², Arg⁵¹³, and Phe⁵¹⁸). These results show that the COX-2 selectivity and potency of 3,4,6-triphenylpyranone regioisomers can be modulated by appropriate placement of the p-SO₂Me pharmacophore on either the C-3 or C-4 Ph moiety. In addition, electronic properties at the para-position of a C-6 Ph substituent on the central pyranone ring govern COX-2 inhibitory potency and selectivity by controlling the orientation of the p-SO₂Me pharmacophore within the COX-2 secondary pocket. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2COA of Formula: C10H11FO2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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. 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.COA of Formula: C10H11FO2

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

Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste was written by Petrus, Rafal;Utko, Jozef;Gnilka, Radoslaw;Fleszar, Mariusz G.;Lis, Tadeusz;Sobota, Piotr. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Synthetic Route of C9H10O3 This article mentions the following:

In this work, we investigated the potential use of high-consistency silicone rubber (SR), which is a synthetic solid material used in numerous industrial applications, to produce a range of liquid alkoxysiloxane derivatives R(OSiMe₂)_xOR, with x = 1 (P₁), 2 (P₂), 3 (P₃), and 4 (P₄). We describe a simple and convenient solvothermal alcoholysis method for the chem. recycling of post-consumer SR in the presence of fatty alcs. under catalyst-free or catalytic conditions. This process proceeds easily both without and with a catalyst. Alkali-metal aryloxides supported by a methylsalicylato ligand (MesalO) gave the highest conversions of SR to products P₁-P₄. Magnesium and zinc aryloxides enabled efficient conversions of products P₂-P₄ to P₁. Binary metal catalysts of general formula [M₂M’₂(MesalO)₆] (M = Mg or Zn; M’ = Li, Na, or K), which had a combination of the catalytic properties shown by alkali-metal aryloxides and magnesium/zinc aryloxides, were produced and used to synthesize P₁-P₄. The results show that magnesium-sodium/potassium aryloxides had the best catalytic activities. Their use led to the formation of two dominant products, namely, P₁ and P₂, with conversion yields of 79 and 17%, resp. Particular emphasis is placed on the operating conditions and high activity of the catalyst used. Key factors that affect the catalytic activity and reaction mechanism are also highlighted. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Synthetic Route of C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Synthetic Route of C9H10O3

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