Category: 112-63-0

Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James published the artcile< Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution>, Formula: C19H34O2, the main research area is iridabenzofuran nitration halogenation; nitro halo substituted iridabenzofuran derivative preparation crystal structure; mol structure nitro halo substituted iridabenzofuran derivative.

Regioselective electrophilic substitution reactions of the iridabenzofurans [Ir(C7H5O{OMe-7})(CO)(PPh3)2][OTf] (1) and IrCl(C7H5O{OMe-7})(PPh3)2 (2) provide a convenient route to mononitro-, dinitro-, and mixed nitro-/halo-substituted derivatives Treatment of cationic 1 with copper(II) nitrate in acetic anhydride (“”Menke”” nitration conditions) gives the mononitrated iridabenzofuran [Ir(C7H4O{NO2-2}{OMe-7})(CO)(PPh3)2][O3SCF3] (3). Under the same conditions neutral 2 undergoes dinitration to form IrCl(C7H3O{NO2-2}{NO2-6}{OMe-7})(PPh3)2 (5). Simple substitution of the carbonyl ligand in 3 with chloride gives the neutral mononitro derivative IrCl(C7H4O{NO2-2}{OMe-7})(PPh3)2 (4). Depending on the conditions employed, treatment of the iridabenzofurans 1 and 2 with Cu(NO3)2 and either lithium chloride or lithium bromide in acetic anhydride gives either the mixed nitro-/halo-substituted iridabenzofurans IrCl(C7H3O{NO2-2}{Cl-6}{OMe-7})(PPh3)2 (6) and IrCl(C7H2O{NO2-2}{NO2-4}{Cl-6}{OMe-7})(PPh3)2 (7) or the simple halo-substituted iridabenzofurans [Ir(C7H4O{Cl-6}{OMe-7})(CO)(PPh3)2][OTf] (8), [Ir(C7H4O{Br-6}{OMe-7})(CO)(PPh3)2][OTf] (9), and IrBr(C7H3O{Br-2}{Br-6}{OMe-7})(PPh3)2 (10). Bromination of 4 with pyridinium tribromide gives IrCl(C7H3O{NO2-2}{Br-6}{OMe-7})(PPh3)2 (11). The mol. structures of 3-7 and 11 have been obtained by X-ray crystallog.

Organometallics published new progress about Benzofurans Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (iridabenzofurans). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

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

Wen, Wandong; Young, Summer E.; Duvernay, Matthew T.; Schulte, Michael L.; Nance, Kellie D.; Melancon, Bruce J.; Engers, Julie; Locuson, Charles W.; Wood, Michael R.; Daniels, J. Scott; Wu, Wenjun; Lindsley, Craig W.; Hamm, Heidi E.; Stauffer, Shaun R. published the artcile< Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists: Discovery and SAR of ML354>, Application of C19H34O2, the main research area is indole preparation protease activated receptor antagonist; ML354; PAR-4 antagonist; Protease activated receptor 4.

Herein the authors report the discovery and SAR of an indole-based protease activated receptor-4 (PAR-4) antagonist scaffold derived from a similarity search of the Vanderbilt HTS collection, leading to MLPCN probe ML354 I (VU0099704). Using a novel PAC-1 fluorescent αIIbβ3 activation assay this probe mol. antagonist was found to have an IC50 of 140 nM for PAR-4 with 71-fold selectivity vs. PAR-1 (IC50 = 10 μM).

Bioorganic & Medicinal Chemistry Letters published new progress about Homo sapiens. 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

Zhang, Tong; Ding, Haibo; An, Minghui; Wang, Xiaonan; Tian, Wen; Zhao, Bin; Han, Xiaoxu published the artcile< Factors associated with high-risk low-level viremia leading to virologic failure: 16-year retrospective study of a Chinese antiretroviral therapy cohort>, Application of C19H34O2, the main research area is tenofovir lamivudine antiretroviral agent viremia virol failure population; First-line regimen; HIV-1; Long-term antiretroviral therapy; Low-level viremia; Lower-income countries; Viral load assay; Virologic failure.

Abstract: Background: Low level viremia (LLV) often occurs during antiretroviral therapy (ART) against HIV-1. However, whether LLV increases the risk of virol. failure (VF) is controversial because of the non-uniform definitions of LLV and VF. Methods: A long-term first line regimen ART cohort from 2002 to 2018 from Shenyang, northeast China, was retrospectively studied. All participants were followed up every 3 to 6 mo to evaluate the treatment effect. The high-risk LLV subgroups leading to VF (with strict standards) were explored with Cox proportional hazards model and linear mixed-effect model. The association factors of high-risk LLV were further explored using multivariate logistic regression analyses. Results: A total of 2155 HIV-1 infected participants were included; of these, 38.7% showed LLV. Both high level LLV (HLLV) and any other level LLV coupled with high level blip (HLB) showed higher risk of VF (hazards ratios, HRHLLV = 5.93, and HRHLB = 2.84, p < 0.05 resp.). Moreover, HR increased with prolonged duration of LLV. Independent factors associated with high-risk LLV included the zenith baseline viral load (VL) above 6 log copies/mL (aOR = 3.49, p = 0.002), nadir baseline CD4 + T cell counts below 200 cells/mm3 (aOR = 1.78, p = 0.011), Manchu (aOR = 2.03, p = 0.003), ART over 60 mo (aOR = 1.81, p = 0.004), AZT + 3TC + NVP (aOR = 2.26, p < 0.001) or DDI-based regimen (aOR = 9.96, p = 0.002), and subtype B' infection (aOR = 8.22, p = 0.001). Conclusions: In case of VF with strict standards, high-risk LLV leading to VF includes VL above 400 copies/mL, occurring at least once. Serious laboratory indicators or advanced stage of infection, long term ART and subtype B' infection might also predict the occurrence of high-risk LLV. BMC Infectious Diseases published new progress about Antiviral agents. 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

Adhiputra, Randy; Utami, Maisari; Suyono, Eko Agus; Budiman, Arief; Hariani, Poedji Loekitowati; Pratiwi, Ani Setyo; Wijaya, Karna published the artcile< Simultaneous extraction and in-situ transesterification of Chlorella vulgaris using microwave-assisted method for biodiesel production>, SDS of cas: 112-63-0, the main research area is extraction Chlorella microwave biodiesel.

This research aims to study the simultaneous extraction and transesterification of Chlorella vulgaris (C. vulgaris) using microwave irradiation with methanol as solvent and potassium hydroxide (KOH) as catalyst. The microwave-assisted insitu transesterification of C. vulgaris is assessed at various ratios of biomass-to-methanol, reaction times, and catalyst concentrations during the centrifugation and evaporation process. Gas chromatog.-mass spectrometry (GC-MS) anal. is performed to confirm fatty acid Me ester (FAME) composition Biodiesel preparation is carried out by simultaneous extraction and transesterification of microalgae from C. vulgaris. The product is then characterized using Fourier transform IR spectroscopy (FTIR) and proton NMR (1H-NMR); microalgae are observed using SEM (SEM). The highest amount of FAME is obtained at a biomass-to-methanol ratio of 1:12, reaction time of 40 min, and catalyst concentration of 2 wt%. Biodiesel shows conversion to about 77.64% of Me ester (Me myristate, Me palmitoleate, Me linoleate, Me oleate, Me arachidonate, and Me 5,8,11,14,17-eicosapentanoate).

Han’guk Chaelyo Hakhoechi published new progress about Biodiesel fuel. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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

Feiffers, S.; Wynberg, Hans; Strating, J. published the artcile< α-Carboxylation of esters>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is malonate monoalkyl; ester alpha carboxylation; metalation alpha ester.

Esters RR1CHCO2R2 were converted to their α-Li salts, then carboxylated to give monoesters of malonic acid. Thus, to (Me2CH)2NH in THF under N at -10 to -15° was added 2M BuLi in hexane, the mixture kept 15 min, the ester in THF added over 0.5 hr, and CO2 passed 10 min to give RR1C(CO2H)CO2R2 [R, R1 = H, Me, Et, tert-Bu, Ph, or (RR1) = cyclohexyl, cyclododecyl, 2-adamantyl; R2 = Me, Et].

Tetrahedron Letters published new progress about Carboxylation. 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

Zhang, Na; Wang, Taisheng; Wu, Xing; Jiang, Chen; Chen, Fang; Bai, Wei; Bai, Ruke published the artcile< Self-exfoliation of 2D covalent organic frameworks: morphology transformation induced by solvent polarity>, Reference of 112-63-0, the main research area is layered borate ester containing covalent organic nanosheet preparation; covalent organic framework borate ester preparation morphol transformation.

Recently, covalent organic nanosheets (CONs) have emerged as functional two-dimensional (2D) materials for versatile applications. Strong interaction among layers and the instability of borate ester in moisture are the major hurdles to obtain few layered B-containing CONs by exfoliation of their bulk counterparts. The authors report a facile approach for preparation of few layered borate ester-containing CONs based on electrostatic repulsion of ions. The authors incorporated organic ionic groups into porous covalent organic frameworks (COFs) and the COFs with quaternary ammonium group could self-exfoliate into few layered ionic covalent organic nanosheets (iCONs) in polar organic solvents. The morphol. of the iCOFs-A could be changed from a multilayered aggregation to nanocapsules, or 2-dimensional sheets when solvents with different polarity were used. In contrast, nonionic covalent organic frameworks COFs-B could not self-exfoliate in various solvents. The self-exfoliated nanosheets could be used to fabricate uniform thin films on SiO2 wafer and the film exhibited explicit optical and elec. properties.

RSC Advances published new progress about Composites (layered borate ester-containing nanosheets). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Reeves, W. Preston; King, Rufus M. II; Jonas, Lynette L.; Hatlevik, Oyvind; Lu, Cuong V.; Schulmeier, Brian published the artcile< Bromination of aromatics with pyridinium hydrobromide perbromide: an organic laboratory experiment>, Computed Properties of 112-63-0, the main research area is laboratory experiment aromatic compound bromination.

Bromination of aniline and anisole derivatives with pyridinium hydrobromide perbromide (PHP) has been selectively achieved. By selecting appropriate reaction conditions, monobrominated, dibrominated, and, in some instances, tribrominated products may be obtained. PHP provides a safe end environmentally friendly way to conduct aromatic brominations. Pedagogic opportunities for this experiment are wide-ranging. GC-MS may be used for the separation of product mixtures Steric and solvent effects may also be discussed as the scope and limitations of this technique are investigated in the organic laboratory

Chemical Educator [Electronic Publication] 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, Computed Properties of 112-63-0.

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

Shrikhande, Savyasachi; Babu, G. Uday Bhaskar; Z., Ahmad; Patle, Dipesh S. published the artcile< Intensification and analysis of ethyl levulinate production process having a reactive distillation through vapor recompression and bottom flash techniques>, Electric Literature of 112-63-0, the main research area is ethyl levulinate production process reactive distillation through vapor recompression.

Et levulinate (EL) is an important biodiesel blending ingredient. Reactive distillation (RD) and distillation are energy intensive operations in the EL process studied in this work. Therefore, the intensification approach for energy reduction in these operations is important. In this study, we investigated the implementation of vapor recompression (VR), multistage vapor recompression (MVR) and bottom flash (BF) techniques in the EL production process having one reactive distillation and two normal distillations for the first time. New intensified cases are- VR in RD (RD-VR), BF in RD (RD-BF), MVR in C1 column (C1-MVR), BF in C2 column (C2-BF), and hybrid RD-BF/C2-BF. Performance of these intensified cases is investigated and compared against the base case in terms of energy savings, total annual cost (TAC), carbon emission, energy consumed per ton of EL and cost of processing per kg of EL. It is found that the RD-BF/C2-BF scheme yields 61% reduction in overall heating duty, 35.5% reduction in TAC, and 58.76% reduction in carbon emission, with respect to the base case. Cost of EL production is found to be $ 6.6 per kg. This study is important as it focuses on economic as well as environmental aspects.

Chemical Engineering and Processing published new progress about Equilibrium constant. 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

Torayev, Amangeldi; Engelke, Simon; Su, Zeliang; Marbella, Lauren E.; De Andrade, Vincent; Demortiere, Arnaud; Magusin, Pieter C. M. M.; Merlet, Celine; Franco, Alejandro A.; Grey, Clare P. published the artcile< Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O2 Cathodes on Discharge through a Combined Experimental and Theoretical Approach>, Synthetic Route of 112-63-0, the main research area is dimethoxyethane tetraglyme lithium oxygen battery kinetic Monte Carlo model.

Li-O2 batteries offer a high theor. discharge capacity due to the formation of light discharged species such as Li2O2, which fill the porous pos. electrode. However, in practice, it is challenging to reach the theor. capacity and completely utilize the full electrode pore volume during discharge. With the formation of discharge products, the porous medium evolves, and the porosity and tortuosity factor of the pos. electrode are altered through shrinkage and clogging of pores. A pore shrinks as solid discharge products accumulate, the pore clogging when it is filled (or when access is blocked). In this study, we investigate the structural evolution of the pos. electrode through a combination of exptl. and computational techniques. Pulsed field gradient NMR results show that the electrode tortuosity factor changes much faster than suggested by the Bruggeman relation (an equation that empirically links the tortuosity factor to the porosity) and that the electrolyte solvent affects the tortuosity factor evolution. The latter is ascribed to the different abilities of solvents to dissolve reaction intermediates, which leads to different discharge product particle sizes: on discharging using 0.5 M LiTFSI in dimethoxyethane, the tortuosity factor increases much faster than for discharging in 0.5 M LiTFSI in tetraglyme. The correlation between a discharge product size and tortuosity factor is studied using a pore network model, which shows that larger discharge products generate more pore clogging. The Knudsen diffusion effect, where collisions of diffusing mols. with pore walls reduce the effective diffusion coefficients, is investigated using a kinetic Monte Carlo model and is found to have an insignificant impact on the effective diffusion coefficient for mols. in pores with diameters above 5 nm, i.e., most of the pores present in the materials investigated here. As a consequence, pore clogging is thought to be the main origin of tortuosity factor evolution.

Journal of Physical Chemistry C published new progress about Carbon black Role: TEM (Technical or Engineered Material Use), USES (Uses). 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

Kochetkov, Sergei V.; Kucherenko, Alexander S.; Zlotin, Sergei G. published the artcile< Asymmetric synthesis of warfarin and its analogs catalyzed by C2-symmetric squaramide-based primary diamines>, Formula: C19H34O2, the main research area is squaramide primary diamine preparation reusable; hydroxycoumarin unsaturated ketone squaramide catalyst enantioselective Michael reaction.

Novel C2-sym. N,N’-bis(2-amino-1,2-diphenylethyl)squaramides with 1,2-di(pyridin-2-yl)ethane and 1,2-diphenylethane spacer groups were designed and applied as organocatalysts in asym. additions of 4-hydroxycoumarin and 4-hydroxy-6-methyl-2H-pyran-2-one to α,β-unsaturated ketones. Both enantiomers of the anticoagulant warfarin and its analogs were prepared in up to 96% yield and with 96% ee. Recyclability of the developed catalysts and synthetic utility of the prepared Michael adducts for asym. synthesis of potential chiral medications via acylation reactions were demonstrated.

Organic & Biomolecular Chemistry published new progress about Acylation. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

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