Category: 112-63-0

Popa, Flavia; Lameiras, Pedro; Moldovan, Oana; Tomoaia-Cotisel, Maria; Henon, Eric; Martinez, Agathe; Sacalis, Carmen; Mocanu, Aurora; Ramondenc, Yvan; Darabantu, Mircea published the artcile< Design, synthesis and structure of new dendritic melamines. First use of a tandem C-2-substituted serinol-O,O-masked 4-piperidone as a peripheral unit in iterative synthesis>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is dendritic melamine piperidone iterative synthesis.

The iterative chemoselective amination of cyanuric chloride to dimers of new G-2 dendritic N-substituted-2,4,6-triamino-s-triazines (melamines) having C-2-substituted 2-aminopropane-1,3-diols (‘serinols’) in tandem with the ethylene ketal of 4-piperidone as peripheral units is reported. The structure as a function of increasing mol. size was studied by NMR spectroscopy, DFT calculation and AFM imaging. A concise nomenclature defining the restricted rotational phenomena about the newly created C(s-triazine)-N(exocyclic) partial double bonds, seen as axes of (pro)diastereomerism, is used. We propose a new form of frontier rotamerism for the dendrimer surface, which operates over a long range.

Tetrahedron published new progress about Dendrimers, polyamines Role: SPN (Synthetic Preparation), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Sui, Meng; Li, Fashe; Wang, Shuang; Wang, Hua published the artcile< Molecular dynamics simulation and experimental research on the oxidation reaction of methyl linoleate at low oxygen and high temperature>, Related Products of 112-63-0, the main research area is methyl linoleate oxygen temperature mol dynamics simulation oxidation.

The pyrolysis and low-oxygen high-temperature oxidation process of Me linoleate containing two unsaturated double bonds were analyzed by kinetic anal., d. functional theory calculation and ReaxFF-MD considering it as a substitute for biodiesel. The combined system of TG-FTIR-MS was used to analyze the escape characteristics of multi-component gas product during the pyrolysis as well as high-temperature oxidation of Me linoleate under low-oxygen. The ReaxFF-MD mol. dynamics method was used to analyze the effect of initial reaction path of the thermal decomposition of Me linoleate and the oxygen content on the oxidation reaction products. The results show that the pyrolysis of Me linoleate has reaction activation energy of 58.2 kJ/mol, while, for the high-temperature oxidation process under low oxygen, it is 58.79 kJ/mol. The main gaseous products are CO2, CH4, CO/C2H4, H2O and products containing C-H, C-O, C=O and other functional groups. Through DFT calculations and ReaxFF-MD, we found that breaking of C-O bond leading to the formation of smaller CH3 radical and decarboxylation to form CO2 constitute the initiation mechanism for the pyrolysis of Me linoleate pyrolysis and high-temperature oxidation in presence of low oxygen. The double bond of Me linoleate is prone to generate C7H10 intermediates with higher carbon content during the pyrolysis process. At the same time, through simulation, we found that oxygen and fuel are mixed as soon as possible at the beginning of the combustion of Me linoleate which helps to reduce the production of C2 products from the pyrolysis of Me linoleate.

Fuel published new progress about Activation energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Hu, Lan; Arifuzzaman, M. D.; Zhao, Yan published the artcile< Controlling Product Inhibition through Substrate-Specific Active Sites in Nanoparticle-Based Phosphodiesterase and Esterase>, Category: esters-buliding-blocks, the main research area is controlling product substrate nanoparticle phosphodiesterase esterase.

Hydrolysis of phosphodiester bonds is catalyzed efficiently by DNA- and RNA-hydrolyzing enzymes, but their synthetic mimics often fail to display catalytic turnovers because the phosphate products tend to bind the catalytic metal more strongly than the substrates. In this work, we report the direct usage of a phosphate diester substrate as the template, and through micellar imprinting and postfunctionalization, we created water-soluble nanoparticle catalysts with an active site closely matching the substrate. With a preferential binding for the substrate and a zinc cation in the close proximity of the phosphate, the resulting synthetic phosphodiesterase displayed turnovers 1 order of magnitude higher than the highest reported previously. The same strategy was used to prepare synthetic esterase with hundreds of turnovers and ability to distinguish closely related substrates.

ACS Catalysis published new progress about Enzyme functional sites, active (designed using substrate template). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Nurasia; Pirda published the artcile< Identification of secondary metabolite compounds and gc-ms test (gas chromatography mass spectroscopy) on purslane plant (Portulaca oleracea L)>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Portulacaoleracea secondarymetabolite gaschromatog mass pectroscopy.

This study aims to analyze the types of secondary metabolite compounds contained in purslane plants (Portulaca oleracea). Ethanol extract of roots, stems and purslane leaves was obtained by maceration of root, stem and leaf samples using 96% ethanol for 3×24 h. Phytochem. tests for ethanol extracts of roots, stems and purslane leaves include examination of alkaloids, saponins, tannins, flavonoids, steroids and terpenoids. Phytochem. test results showed that the ethanol extract of roots and purslane pos. stems contained alkaloids, tannins, saponins, steroids, flavonoids and terpenoids. While the phytochem. test results of pos. purslane leaf ethanol extracts contain alkaloids, tannins, terpenoids and saponins. Then the secondary metabolite compounds are identified using GC-MS (Gas Chromatog. Mass Spectroscopy). The results of the identification of ethanol extracts of roots, stems and purslane leaves found the most compounds At the root are stigmast, phenol, propionate, hexadecanoic acid and octadecanoic acid. In the stems are ethylcholest, campasterol, borabicyclo [3.1.3] nonane, stigmast and phenol. The leaves are phenol, stigmast, phenol, Me linolenic acid and headecanoic acid.

Journal of Physics: Conference Series published new progress about Alkaloids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Pizzarello, Sandra; Wang, Yi; Chaban, Galina M. published the artcile< A comparative study of the hydroxy acids from the Murchison, GRA 95229 and LAP 02342 meteorites>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is hydroxy acid carbonaceous chondrite aqueous extract GC MS; chirality hydroxy acid carbonaceous chondrite; carbon isotope hydroxy acid carbonaceous chondrite; atomic deuterium hydroxy acid carbonaceous chondrite.

The hydroxy acid suites extracted from the Murchison (MN), GRA 95229 (GRA) and LAP 02342 (LAP) meteorites have been investigated for their mol., chiral and isotopic composition Substantial amounts of the compounds have been detected in all three meteorites, with a total abundance that is lower than that of the amino acids in the same stones. Overall, their mol. distributions mirror closely that of the corresponding amino acids and most evidently so for the LAP meteorite. A surprising L-lactic acid enantiomeric excess was found present in all three stones, which cannot be easily accounted by terrestrial contamination; all other compounds of the three hydroxy acid suites were found racemic. The branched-chain five carbon and the diastereomer six-carbon hydroxy acids were also studied vis-a-vis the corresponding amino acids and calculated ab initio thermodn. data, with the comparison allowing the suggestion that meteoritic hydroxy acid at these chain lengths formed under thermodn. control and, possibly, at a later stage than the corresponding amino acids. 13C and D isotopic enrichments were detected for many of the meteoritic hydroxy acids and found to vary between mol. species with trends that also appear to correlate to those of amino acids; the highest δD value (+3450‰) was displayed by GRA 2-OH-2-methylbutyric acid. The data suggest that, while the amino- and hydroxy acids likely relate to common presolar precursor, their final distribution in meteorites was determined to large extent by the overall composition of the environments that saw their formation, with ammonia being the determining factor in their final abundance ratios.

Geochimica et Cosmochimica Acta published new progress about Amino acids Role: GOC (Geological or Astronomical Occurrence), GPR (Geological or Astronomical Process), OCCU (Occurrence), PROC (Process). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Esteruelas, Miguel A.; Martinez, Antonio; Olivan, Montserrat; Onate, Enrique published the artcile< Direct C-H Borylation of Arenes Catalyzed by Saturated Hydride-Boryl-Iridium-POP Complexes: Kinetic Analysis of the Elemental Steps>, Product Details of C19H34O2, the main research area is carbon hydrogen bond borylation arene catalyst boryliridium hydride; isotope effect borylation arene catalyst boryliridium hydride; reductive elimination kinetics boryl iridium hydride pincer complex; B−H activation; C−H activation; arene borylation; iridium; pincer ligand.

The saturated trihydride IrH3{κ3-P,O,P-[xant(PiPr2)2]} (1; xant(PiPr2)2 = 9,9-dimethyl-4,5-bis(diisopropylphosphino)xanthene) activates the B-H bond of two mols. of pinacolborane (HBpin) to give H2, the hydride-boryl derivatives IrH2(Bpin){κ3-P,O,P-[xant(PiPr2)2]} (2) and IrH(Bpin)2{κ3-P,O,P-[xant(PiPr2)2]} (3) in a sequential manner. Complex 3 activates a C-H bond of two mols. of benzene to form PhBpin and regenerates 2 and 1, also in a sequential manner. Thus, complexes 1, 2, and 3 define two cycles for the catalytic direct C-H borylation of arenes with HBpin, which have dihydride 2 as a common intermediate. C-H bond activation of the arenes is the rate-determining step of both cycles, as the C-H oxidative addition to 3 is faster than to 2. The results from a kinetic study of the reactions of 1 and 2 with HBpin support a cooperative function of the hydride ligands in the B-H bond activation. The addition of the B atom of the borane to a hydride facilitates the coordination of the B-H bond through the formation of κ1- and κ2-dihydrideborate intermediates.

Chemistry – A European Journal published new progress about Aromatic compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

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

Wu, Xiaohong; Li, Zhengang; Song, Cun; Chen, Libin; Dai, Peng; Zhang, Pengfang; Qiao, Yu; Huang, Ling; Sun, Shi-Gang published the artcile< Regulating the Architecture of a Solid Electrolyte Interface on a Li-Metal Anode of a Li-O2 Battery by a Dithiobiuret Additive>, Application of C19H34O2, the main research area is solid electrolyte lithium metal anode battery.

Different from other typical architectures of lithium-ion cells (e.g., NCM//graphite, etc.), Li-metal is indispensable to the construction of Li-O2 batteries (LOBs), since Li-metal can be consumed as a lithium source for the initial discharge process on the cathode side. However, the unstable solid electrolyte interface (SEI) film and related hazardous dendrite growth plague the stability and further development of the Li-metal anode, which would be exacerbated by an O2 atmosphere in LOBs. Herein, the dithiobiuret (DTB, C2H5N3S2) additive was introduced into a typical ether electrolyte to regulate the Li+ solvated sheath configuration, and the solvation sheath was tailored and evolved to a solvent-depleted state. Consequently, an anion-derived SEI film architecture with F-rich and O-deficient components was formed. Systematically, studies of spectroscopy and electrochem. anal. demonstrated that such specific SEI architecture can trigger grain refinement and promote dendrite-free morphol. Benefiting from the addition of DTB and under an O2 atmosphere, the electrochem. performance of both Li/Li sym. cells and Li-O2 cells has been significantly enhanced.

ACS Materials Letters published new progress about Battery anodes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Pavletic, Pegi; Semeano, Ana; Yano, Hideaki; Bonifazi, Alessandro; Giorgioni, Gianfabio; Piergentili, Alessandro; Quaglia, Wilma; Sabbieti, Maria Giovanna; Agas, Dimitrios; Santoni, Giorgio; Pallini, Roberto; Ricci-Vitiani, Lucia; Sabato, Emanuela; Vistoli, Giulio; Del Bello, Fabio published the artcile< Highly Potent and Selective Dopamine D4 Receptor Antagonists Potentially Useful for the Treatment of Glioblastoma>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is glioblastoma antitumor D4R antagonists beta arrestin stem cells.

To better understand the role of dopamine D4 receptor (D4R) in glioblastoma (GBM), in the present paper, new ligands endowed with high affinity and selectivity for D4R were discovered starting from the brain penetrant and D4R selective lead compound 1-(3-(4-phenylpiperazin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one (6). In particular, the D4R antagonist 24, showing the highest affinity and selectivity over D2R and D3R within the series (D2/D4 = 8318, D3/D4 = 3715), and the biased ligand 29, partially activating D4R Gi-/Go-protein and blocking β-arrestin recruitment, emerged as the most interesting compounds These compounds, evaluated for their GBM antitumor activity, induced a decreased viability of GBM cell lines and primary GBM stem cells (GSC#83), with the maximal efficacy being reached at a concentration of 10 μM. Interestingly, the treatment with both compounds 24 (I) and 29 (II) induced an increased effect in reducing the cell viability with respect to temozolomide, which is the first-choice chemotherapeutic drug in GBM.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Sayama, Shinsei published the artcile< Convenient transformation of 3-alkoxyfurans to 2-Alkoxy-3-furanones or cis-2-alkoxy-2-butene-1,4-diones with phenyltrimethylammonium tribromide>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is transformation alkoxyfuran furanone butenedione preparation phenyltrimethylammonium tribromide; ring opening oxidative chemoselective phenyltrimethylammonium tribromide alkoxy furan; oxidation phenyltrimethylammonium tribromide alkoxy furan; oxidative ring opening alkoxy phenylfuran alkoxy butenedione PTAB DMSO.

3-Alkoxy-2,5-diphenylfurans and 3-alkoxy-2,4,5-triphenylfurans were converted to 2-alkoxy-3-furanones with phenyltrimethylammonium tribromide (PTAB) in various alcs. at room temperature The oxidative ring-opening of 3-alkoxy-2,5-diphenylfurans to cis-2-alkoxy-2-butene-1,4-diones was also accomplished with PTAB in DMSO.

Heterocycles published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Eaton, John K.; Furst, Laura; Cai, Luke L.; Viswanathan, Vasanthi S.; Schreiber, Stuart L. published the artcile< Structure-activity relationships of GPX4 inhibitor warheads>, Category: esters-buliding-blocks, the main research area is structure preparation GPX4 inhibitor propiolamide NO warhead; Covalent inhibitors; Ferroptosis; GPX4; Masked electrophiles.

Direct inhibition of GPX4 requires covalent modification of the active-site selenocysteine. While phenotypic screening has revealed that activated alkyl chlorides and masked nitrile oxides can inhibit GPX4 covalently, a systematic assessment of potential electrophilic warheads with the capacity to inhibit cellular GPX4 has been lacking. Here, we survey more than 25 electrophilic warheads across several distinct GPX4-targeting scaffolds. We find that electrophiles with attenuated reactivity compared to chloroacetamides are unable to inhibit GPX4 despite the expected nucleophilicity of the selenocysteine residue. However, highly reactive propiolamides we uncover in this study can substitute for chloroacetamide and nitroisoxazole warheads in GPX4 inhibitors. Our observations suggest that electrophile masking strategies, including those we describe for propiolamide- and nitrile-oxide-based warheads, may be promising for the development of improved covalent GPX4 inhibitors.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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