Month: November 2022

Liotta, Frank J. Jr.; Van Duyne, Gregory; Carpenter, Barry K. published the artcile< Structures and rearrangement mechanisms for some bicyclo[6.1.0]nona-2,4,6-triene complexes of chromium, molybdenum, and tungsten>, Synthetic Route of 112-63-0, the main research area is crystal structure bicyclononatrienemolybdenum; mol structure bicyclononatrienemolybdenum; molybdenum bicyclononatriene structure; chromium bicyclononatriene structure; tungsten bicyclononatriene structure; rearrangement bicyclononatrienemolybdenum.

The structures of (bicyclo[6.1.0]nona-2,4,6-triene)tricarbonylmolybdenum and (endo-9-bromobicyclo[6.1.0]nona-2,4,6-triene)tricarbonylmolybdenum were investigated by x-ray crystallog. Both are shown to have geometries in which the cyclopropane ring is syn to the metal. In the 9-bromo complex only two of the three C:C bonds are coordinated to the metal; the third coordination site is occupied by the halogen. The mechanism of thermal rearrangement of (bicyclo[6.1.0]nona-2,4,6-triene)tricarbonylmolybdenum to (bicyclo[4.2.1]nona-2,4,7-triene)tricarbonylmolybdenum was investigated by deuterium-labeling and kinetic studies. A new, degenerate rearrangement of the starting complex was discovered in the course of this investigation. Similar processes are shown to occur for the corresponding chromium and tungsten complexes. Both types of rearrangement are sigmatropic processes in which the metal does not directly participate in cleavage of the C-C bond.

Organometallics published new progress about Crystal structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Haas, Ronja; Murat, Michael; Weiss, Manuel; Janek, Juergen; Natan, Amir; Schroeder, Daniel published the artcile< Understanding transport of atmospheric gases in liquid electrolytes for lithium-air batteries>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is atm gas transport liquid electrolyte lithium air battery.

In metal-air batteries, carbon dioxide (CO2) and nitrogen (N2) are, apart from oxygen (O2), also present as dissolved species in the liquid electrolyte. These dissolved gases can strongly influence the battery performance, as they affect the discharge mechanism and the stability of the lithium metal anode. Therefore, their solubility and diffusivity are important parameters, that are rarely considered in the development of electrolytes for metal-air batteries. Addnl., the diffusion coefficients are calculated through mol. dynamics simulations. The results agree well with the exptl. data. Furthermore, the influence of solvent parameters, such as surface tension and viscosity, on the solubility and the diffusivity as well as the impact of the addition of LiTFSI as conducting salt are investigated. The reported data will help to assess the impact of dissolved gases on the cell chem. of nonaqueous lithium-air batteries, especially on the solid electrolyte interphase (SEI) at the lithium anode, and to predict diffusivity and gas solubility in other electrolytes.

Journal of the Electrochemical Society published new progress about Battery anodes. 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

He, Dongmei; Wang, Peng; Liao, Fengyun; Yu, Lingling; Gan, Bing published the artcile< Cell membrane-coated biomimetic magnetic nanoparticles for the bio-specific extraction of components from Gualou Guizhi decoction exhibiting activities against oxygen-glucose deprivation/reperfusion injury>, Synthetic Route of 112-63-0, the main research area is Gualou Guizhi decoction oxygen glucose deprivation reperfusion injury; biomimetic magnetic nanoparticles component cell membrane; Cell membrane-coated magnetic beads; Gua-Lou-Gui-Zhi-decoction; Hypoxia-inducible factor-1α; Mass spectrometry; Oxygen-glucose deprivation/reperfusion injury; Stroke.

Gua-Lou-Gui-Zhi decoction (GLGZD) is a classical multiherb traditional Chinese medicine formula that has ameliorative effects on oxygen-glucose deprivation/reperfusion (OGD/R) injury and has been applied for the treatment of stroke in clin. practice; however, its active ingredients remain unknown. The aim of this study was to develop an effective method for screening for components of GLGZD with potential therapeutic activity against OGD/R injury. Brain microvascular endothelial cell membrane-coated magnetic beads (CMs@rBMECs-MBs) were incubated with the GLGZD extract; the bound material was eluted and the constituents were identified using solid phase extraction and ultra-performance liquid chromatog.-Orbitrap Fusion Tribrid mass spectrometry (UPLC-Orbitrap Fusion Tribrid MS). The biol. activities of the identified GLGZD components were analyzed using OGD/R-exposed brain endothelial cells. Seven compounds bound to the CMs@rBMECs-MBs were identified as gallic acid, paeoniflorin, liquiritigenin, isoliquiritigenin, liquiritin, isoliquiritin, and formononetin. Among them, six (except formononetin) protected brain endothelial cells against OGD/R injury in a concentration-dependent manner (20-120 μM; P < 0.01-0.05) and downregulated the expression of hypoxia-inducible factor-1α (P < 0.01) involved in the pathogenic mechanisms triggered by stroke. Our findings suggest that the screening of bioactive compounds using cell membrane-coated magnetic beads combined with solid phase extraction and UPLC-Orbitrap Fusion Tribrid MS is an effective method for the bio-specific extraction and identification of ingredients responsible for the therapeutic activity of traditional Chinese medicines. Journal of Pharmaceutical and Biomedical Analysis published new progress about Brain. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Liang, Jihong; Azhar, Umair; Men, Pengchao; Chen, Jian; Liu, Yining; He, Jinxuan; Geng, Bing published the artcile< Fluoropolymer/SiO2 encapsulated aluminum pigments for enhanced corrosion protection>, Application of C18H26O6, the main research area is fluoropolymer SiO2 encapsulated aluminum pigment corrosion.

Flake aluminum powders with excellent corrosive resistance properties are attractive materials in many technol. applications. Here, a convenient strategy is employed to encapsulate the aluminum powders by using silicon-fluoropolymer composite film, by which the chem. resistance of aluminum-based pigments is significantly improved. A basic layer of SiO2 is formed on the surface of the flake aluminum powders via sol-gel process. For the good compatibility between the silicon and fluorine, a uniform and dense layer of poly (trifluoroethyl methacrylate) (PTFEMA) is pasted tightly on the silicon layer initially formed by solution polymerization Protected by this kind of composite silicon-fluoro-layer, the encapsulated aluminum powders were highly stable when they dipped into strongly alk. solution (1.25 M, pH > 14). The morphol. of composite layers on the aluminum powders are characterized by means of SEM. The structures of silicon-fluoropolymer composite film are tested by Fourier transform IR spectroscopy (FTIR), energy dispersive spectroscopy (EDS) and XPS. The relationship between the usage of monomers and crosslinker on corrosion inhibition properties is systematically investigated. The phenomenon of hydrogen gas evolution is eliminated by the PTFEMA/SiO2 hybrid films owing to an efficient fluorinated protective film on aluminum pigments.

Applied Surface Science published new progress about Anticorrosive coating materials. 3290-92-4 belongs to class esters-buliding-blocks, and the molecular formula is C18H26O6, Application of C18H26O6.

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

Ledzion, Ewa; Rybinska, Krystyna; Postupolski, Jacek; Kurpinska-Jaworska, Jolanta; Szczesna, Malgorzata published the artcile< Studies and safety evaluation of aflatoxins in herbal plants>, Quality Control of 112-63-0, the main research area is medicinal plant aflatoxin contamination Poland.

The aflatoxin (AF; B1, B2, G1, G2) levels in medicinal herbal plants were determined by HPLC with post-column bromination derivatization with pyridinium hydrobromide perbromide (PBPB). Com. herbal plant samples (n = 519) originating mainly from Eastern Poland were studied in 2006-2010. The aqueous methanol herbal extracts clean-up was done with immunoaffinity columns. No sample had aflatoxin levels above the HPLC method detection limits (B1 0.2 μg/kg; B2 0.03 μg/kg; G1 0.3 μg/kg; G2 0.03 μg/kg). The studied herbal plants were prepared with good manufacturing practices during raw materials drying and storage and can be considered safe.

Roczniki Panstwowego Zakladu Higieny published new progress about Food contamination. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Zhao, Hui; Gu, Weiyin; Thielke, Michael W.; Sterner, Elizabeth; Tsai, Tsunghan; Russell, Thomas P.; Coughlin, E. Bryan; Theato, Patrick published the artcile< Functionalized Nanoporous Thin Films and Fibers from Photocleavable Block Copolymers Featuring Activated Esters>, Application In Synthesis of 71195-85-2, the main research area is nanoporous thin film RAFT polymerization contact angle.

A series of poly(pentafluorophenyl (methyl)acrylates)-block-poly(ethylene oxide) with o-nitrobenzyl ester photocleavable junctions (PPFP(M)A-hv-PEO) were synthesized by RAFT polymerization The block copolymers were used to fabricate thin films and fibers by spin-coating and electrospinning, resp. After solvent annealing, UV exposure, and washing with methanol/water to remove the minor PEO block, nanoporous structures were obtained. Both the porous thin films and fibers remained reactive to amine substitution of the pentafluorophenyl esters under mild conditions, which was confirmed by XPS, fluorescence confocal microscopy, FT-IR, and contact angle measurements.

Macromolecules (Washington, DC, United States) published new progress about Azide-alkyne 1,3-dipolar cycloaddition reaction. 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, Application In Synthesis of 71195-85-2.

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

Lipshutz, Bruce H.; Noson, Kevin; Chrisman, Will; Lower, Asher published the artcile< Asymmetric Hydrosilylation of Aryl Ketones Catalyzed by Copper Hydride Complexed by Nonracemic Biphenyl Bis-phosphine Ligands>, Electric Literature of 112-63-0, the main research area is copper hydride diphosphine catalyst asym hydrosilylation reduction aromatic ketone; ketone aromatic asym hydrosilylation reduction chiral benzyl alc preparation; silane hydrosilane reduction aromatic ketone asym copper diphosphine catalyst.

Copper hydride is an extremely reactive catalyst capable of effecting asym. hydrosilylations of aromatic ketones at temperatures between -50 and -78°, when complexed by chiral diphosphines of the BIPHEP or the SEGPHOS series. Inexpensive silanes serve as stoichiometric sources of hydride. Substrate-to-ligand ratios exceeding 100,000:1 were achieved. The level of induction is usually in the >90% ee category. The nature of the reagent was investigated using spectroscopic and chem. means, although its exact structure remains unclear.

Journal of the American Chemical Society published new progress about Aralkyl alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Patberg, Marius; Isaak, Andreas; Fuesser, Friederike; Ortiz Zacarias, Natalia V.; Vinnenberg, Laura; Schulte, Janine; Michetti, Lucia; Grey, Lucie; van der Horst, Cas; Hundehege, Petra; Koch, Oliver; Heitman, Laura H.; Budde, Thomas; Junker, Anna published the artcile< Piperazine squaric acid diamides, a novel class of allosteric P2X7 receptor antagonists>, Quality Control of 112-63-0, the main research area is liver microsome piperazine P2X7 receptor physicochem property; Allosteric; Antagonists; P2X; P2X7 receptor; Squaric acid.

The P2X7 receptor (P2X7R) stands out among the purinergic receptors due to its strong involvement in the regulation of tumor growth and metastasis formation as well as in innate immune responses and afferent signal transmission. Numerous studies have pointed out the beneficial effects of P2X7R antagonism for the treatment of a variety of cancer types, inflammatory diseases, and chronic pain. Herein we describe the development of novel P2X7R antagonists, incorporating piperazine squaric diamides as a central element. Besides improving the antagonists potency from pIC50 values of 5.7-7.6, ADME properties (logD7.4 value, plasma protein binding, in vitro metabolic stability) of the generated compounds were investigated and optimized to provide novel P2X7R antagonists with drug-like properties. Furthermore, docking studies revealed the antagonists binding to the allosteric binding pocket in two distinct binding poses, depending on the substitution of the central piperazine moiety.

European Journal of Medicinal Chemistry published new progress about Diamides Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Zhu, Xing-Li; Xu, Jin-Hui; Cheng, Dao-Juan; Zhao, Li-Jiao; Liu, Xin-Yuan; Tan, Bin published the artcile< In Situ Generation of Electrophilic Trifluoromethylthio Reagents for Enantioselective Trifluoromethylthiolation of Oxindoles>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is trifluoromethylthiolation enantioselective oxindole trifluoromethylthiosilver.

An organocatalytic asym. trifluoromethylthiolation reaction via in situ generation of active electrophilic trifluoromethylthio species involving trichloroisocyanuric acid and AgSCF3 as a practical and easily handled electrophilic SCF3 source for CSP3-SCF3 bond formation was developed. Reactions with this one-pot version strategy occurred in good yields and excellent stereoselectivities to access enantiopure oxindoles bearing a SCF3-substituted quaternary chiral center. E.g., in presence of trichloroisocyanuric acid, AgSCF3, and catalyst (DHQD)2Pyr, trifluoromethylthiolation of oxindole derivative (I) gave 78% II (90 °C). The straightforward process described here makes use of simple starting materials and proceeds under mild conditions, which will be useful in medicinal chem. and diversity-oriented syntheses.

Organic Letters published new progress about Enantioselective synthesis. 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

Hendrick, Charles E.; Jorgensen, Jeff R.; Chaudhry, Charu; Strambeanu, Iulia I.; Brazeau, Jean-Francois; Schiffer, Jamie; Shi, Zhicai; Venable, Jennifer D.; Wolkenberg, Scott E. published the artcile< Direct-to-Biology Accelerates PROTAC Synthesis and the Evaluation of Linker Effects on Permeability and Degradation>, Reference of 287114-25-4, the main research area is proteolysis targeting chimera preparation linker effect.

A platform to accelerate optimization of proteolysis targeting chimeras (PROTACs) had been developed using a direct-to-biol. (D2B) approach with a focus on linker effects. A large number of linker analogs-varying length, polarity, and rigidity-were rapidly prepared and characterized in four cell-based assays by streamlining time-consuming steps in synthesis and purification The expansive data set informs on linker structure activity relationships for in-cell E3 ligase target engagement, degradation, permeability, and cell toxicity. Unexpected aspects of linker SAR were discovered, consistent with literature reports on “”linkerol.””, and the method dramatically speeds up empirical optimization. Physicochem. property trends emerged, and the platform had the potential to rapidly expand training sets for more complex prediction models. In-depth validation studies were carried out and confirm the D2B platform was a valuable tool to accelerate PROTAC design-make-test cycles.

ACS Medicinal Chemistry Letters published new progress about Chemical library. 287114-25-4 belongs to class esters-buliding-blocks, and the molecular formula is C12H22N2O2, Reference of 287114-25-4.

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