Tag: M.W=250-300

Kimura, Toshihiro; Kamata, Keigo; Mizuno, Noritaka published the artcile< Bifunctional Tungstate Catalyst for Chemical Fixation of CO2 at Atmospheric Pressure>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aromatic diamine propargylic alc carbon dioxide fixation tungstate catalyst; heterocycle cyclic urea carbonate quinazolinedione preparation reaction mechanism.

The authors report the first example of tungstate-based catalytic fixation of carbon dioxide (CO2). A simple monomeric tungstate, TBA[WO4] (TBA = n-Bu4N+) acts as a highly efficient homogeneous catalyst for chem. fixation of CO2 with aromatic diamines, 2-aminobenzonitriles, and propargylic alcs. to give urea derivatives quinazoline-2,4(1H,3H)-diones, and cyclic carbonates, resp. The 1H and 13C NMR spectra show the specific interaction of the tungsten-oxo moiety in TBA[WO4] with both CO2 and the substrate. This study also shows the importance of developing bifunctional catalysts which can activate both CO2 and a nucleophile (amines, alcs., etc.).

Angewandte Chemie, International Edition published new progress about Alcohols, propargyl Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Zhai, Shiyang; Zhang, Huimin; Chen, Rui; Wu, Jiangxia; Ai, Daiqiao; Tao, Shunming; Cai, Yike; Zhang, Ji-Quan; Wang, Ling published the artcile< Design, synthesis and biological evaluation of novel hybrids targeting mTOR and HDACs for potential treatment of hepatocellular carcinoma>, SDS of cas: 112-63-0, the main research area is hepatocellular carcinoma mTOR HDAC1 antiproliferative drug deign mol docking; HDACs; Hepatocellular carcinoma; Hybrids; mTOR.

Hepatocellular carcinoma (HCC) is a major contributor to global cancer incidence and mortality. Many pathways are involved in the development of HCC and various proteins including mTOR and HDACs have been identified as potential drug targets for HCC treatment. In the present study, two series of novel hybrid mols. targeting mTOR and HDACs were designed and synthesized based on parent inhibitors (MLN0128 and PP121 for mTOR, SAHA for HDACs) by using a fusion-type mol. hybridization strategy. In vitro antiproliferative assays demonstrated that these novel hybrids with suitable linker lengths exhibited broad cytotoxicity against various cancer cell lines, with significant activity against HepG2 cells. Notably, DI06, an MLN0128-based hybrid, exhibited antiproliferative activity against HepG2 cells with an IC50 value of 1.61渭M, which was comparable to those of both parent drugs (MLN0128, IC50 = 2.13渭M and SAHA, IC50 = 2.26渭M). In vitro enzyme inhibition assays indicated that DI06, DI07 and DI17 (PP121-based hybrid) exhibited nanomolar inhibitory activity against mTOR kinase and HDACs (e.g., HDAC1, HDAC2, HDAC3, HADC6 and HADC8). Cellular studies and western blot analyses uncovered that in HepG2 cells, DI06 and DI17 induced cell apoptosis by targeting mTOR and HDACs, blocked the cell cycle at the G0/G1 phase and suppressed cell migration. The potential binding modes of the hybrids (DI06 and DI17) with mTOR and HDACs were investigated by mol. docking. DI06 displayed better stability in rat liver microsomes than DI07 and DI17. Collectively, DI06 as a novel mTOR and HDACs inhibitor presented here warrants further investigation as a potential treatment of HCC.

European Journal of Medicinal Chemistry published new progress about Acetylated histone H3 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Hu, Jin; Yang, Ruhan; Zhang, Li; Chen, Ying; Sheng, Xinxin; Zhang, Xinya published the artcile< Robust, transparent, and self-healable polyurethane elastomer via dynamic crosslinking of phenol-carbamate bonds>, Related Products of 112-63-0, the main research area is transparent self healable polyurethane elastomer crosslinking phenol carbamate bond.

Intrinsic self-healing materials designed through the incorporation of noncovalent interactions or dynamic covalent bonds are prized for their ability to recover from mech. damages. However, they often suffer from deteriorated mech. property due to the increased chain mobility. In this work, we reported a high-strength, colorless transparent self-healing polyurethane elastomer through dynamic crosslinking of reversible phenol-carbamate bonds. Tetrabromobisphenol A (TBBPA) and Pr gallate (PG) were used as the dynamic chain extender and dynamic crosslinking agent, resp. They both can be effectively deblocked at mild temperatures ensuring that the self-healing efficiency is not affected by the material formulation. The mech. properties can be tailored in a wide range by varying the crosslink d. and hard segment content, and their combination uniquely determines the material formulation. The phenol-carbamate based polyurethane (PPU) with a hard segment of 60% and a crosslink d. è°?of 0.5 mmol cm-3 exhibited a tensile strength up to 46.4 MPa at the break strain of 615% and displayed high elastic resilience. In the meantime, it could be fully healed (畏蟽 = 93%) with 2 h of heating at 100掳C after completely cut off. After recycled three times, it still maintained 80% of its original tensile strength. The structural rigidity of the crosslinker PG and the highly reversible phenol-carbamate bond play a crucial role in strengthening the mech. strength while maintaining the self-healing efficiencies at elevated temperatures This work provides a feasible strategy to prepare mech. robust crosslinked polyurethane elastomer with high self-healing efficiency in a cost-effective manner.

Polymer published new progress about Complex modulus, tan � 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

Mikosch, W.; Dorfmuller, Th.; Eimer, W. published the artcile< Rotational motion of charged molecules in aqueous solutions. A change in the diffusion mechanism>, Computed Properties of 112-63-0, the main research area is rotational motion charged mol aqueous solution; viscosity fluorescence charged mol aqueous solution; diffusion Stokes Einstein Debye equation.

The rotational motion of the anions polyphenyl 2 (PP2) and pyrene tetrasulfonate (PTS) was studied as a function of the solvent viscosity by time-resolved fluorescence depolarization spectroscopy using the single photon counting technique. The viscosity was varied by changing the temperature and the composition of the water-glycerol mixtures, resp. At low viscosity the reorientational behavior of PP2 and PTS is well described by the Stokes-Einstein-Debye (SED) equation under stick boundary conditions. With increasing viscosity (��25 cP) however the rotational motion did no longer follow the SED predictions. Instead, we observed a much faster relaxation time, approaching an asymptotic value at very high viscosities. In the high viscosity regime microscopic collisional effects rather than the macroscopic hydrodynamics drag of the solvent determines the reorientational dynamics of the solute mols.

Journal of Chemical Physics published new progress about Diffusion. 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

Santschi, Nico; Matthey, Coraline; Schwenk, Rino; Otth, Elisabeth; Togni, Antonio published the artcile< On the Effect of Backbone Modifications in 3,3-Dimethyl-1-(trifluoromethyl)-3H-1ä½?,2-benziodaoxole>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is dimethyl trifluoromethyl benziodaoxole.

We report on the effect of small side-chain modifications to the structure of 3,3-dimethyl-1-(trifluoromethyl)-3H-1�,2-benziodaoxole (1b) on its reactivity, as expressed by the initial rate v0 in a model reaction, and show how the latter can be successfully correlated to an easily determined phys. parameter p, a 13C NMR chem. shift. The relationship v0 �p is already present in the simplest starting material devoid of the hypervalent bond and the iodine core and, therefore, presents an interesting approach towards the future scaffold-optimization of this class of reagents.

European Journal of Organic Chemistry published new progress about Crystal structure. 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

Khalifa, Muhammad M.; Philkhana, Satish Chandra; Golden, Jennifer E. published the artcile< Synthesis of Ring-Fused, N-Substituted 4-Quinolinones Using pKa-Guided, Base-Promoted Annulations with Isatoic Anhydrides: Total Synthesis of Penicinotam>, Category: esters-buliding-blocks, the main research area is isatoic anhydride ketone base promoted anionic annulation; quinolinone preparation; penicinotam total synthesis.

An anionic annulation strategy employing isatoic anhydrides and a wide assortment of enolizable partners was developed to afford over 80 novel ring-fused, N-substituted 4-quinolinones, an underrepresented privileged template. Multiple factors governing the efficiency of the transformation were determined, resulting in a reliable and tunable synthetic platform applicable for a broad range of substrates with variable deprotonation susceptibility, such as tetramic and tetronic acids, cyclic 1,3-diketones, and cycloalkanones. Application to the synthesis of bioactive, pyrrolizine-fused 4-quinolinone, penicinotam I, resulted in the most brief and highest yielding total synthesis of the alkaloid in three steps and a 36% overall yield.

Journal of Organic Chemistry published new progress about Cyclization. 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

Lipshutz, Bruce H.; Frieman, Bryan A.; Unger, John B.; Nihan, Danielle M. published the artcile< Thermally accelerated asymmetric hydrosilylations using ligated copper hydride>, Application In Synthesis of 112-63-0, the main research area is thermally microwave accelerated asym hydrosilylation ligated copper hydride catalyst; prochiral substrate asym hydrosilylation ligated copper hydride catalyst.

Exposure of a variety of prochiral substrates to [(R)-(-)-DTBM-SEGPHOS]CuH + PMHS under microwave or conventionally heated conditions reduces reaction times for these hydrosilylations from hours to minutes without significant erosion in ee in most cases. Thus, microwave assisted hydrosilylation of isophorone with poly(methylhydrosiloxane) at 60�for 60 min gave 100% (R)-3,3,5-trimethylcyclohexanone.

Canadian Journal of Chemistry published new progress about Hydrosilylation catalysts, stereoselective. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

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

Baddeley, Kate L.; Cook, Matthew J. published the artcile< A highly selective Bi(OTf)3 mediated fragmentation-contraction of �ortholactones. A facile route to functionalized �lactones>, SDS of cas: 4098-06-0, the main research area is lactone preparation pyranyl ortholactone fragmentation acetate migration ring contraction.

A very selective method for the formation of �lactones from pyranyl ortholactones has been developed which occurs via a fragmentation-acetate migration-ring contraction process. The reaction is very functional group tolerant, providing functionalized �lactones as a single isomeric product following the ring contraction. Mechanistic studies indicate the reaction is mediated by triflic acid liberated from Bi(OTf)3 in a slow and controlled manner providing excellent chemo and regioselectivity. We propose the triflic acid acts as both a proton and a nucleophile source with triflate anion mediating the fragmentation process.

Tetrahedron published new progress about Fragmentation reaction. 4098-06-0 belongs to class esters-buliding-blocks, and the molecular formula is C12H16O7, SDS of cas: 4098-06-0.

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

Ayadi, Awatef; Benmensour, Mohamed-Ali; Cheret, Yohan; Boucekkine, Abdou; El-Ghayoury, Abdelkrim published the artcile< Zinc and copper complexes of stilbene iminopyridine ligands with ç•?-Olefin binding mode>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is zinc copper complex stilbene iminopyridine preparation uv vis DFT; crystal structure mol zinc copper complex stilbene iminopyridine optimized.

Two stilbene based iminopyridine ligands (L1-L2) synthesized by a condensation reaction between N,N-Dimethyl-4,4′-azodianiline and 2-pyridinecarboxaldehyde or 2,6-pyridinedicarboxaldehyde, with 73% and 65% yield, are described. The two ligands have been characterized by elemental anal. and spectroscopic techniques. The complexation of ligand L1 with ZnCl2 afforded neutral tetrahedral zinc(II) metal complex C1 formulated as [ZnL1Cl2] with a 2D supramol. architecture reinforced by 蟺路路路èŸ?stacking and hydrogen bonding in the solid state. Interestingly in the case of copper(I) complex C2, ligand L1 acts as a ditopic ligand since it coordinates one Cu(I) with an iminopyridyl fragment and a second metal center with an ç•?-olefin binding mode giving rise to a 1D-polymeric structure. The coordination sphere is completed with an acetonitrile solvent mol. leading to a distorted tetrahedral geometry around copper cation and the resulting coordination polymer can be formulated as {[Cu(L1)2CH3CN]BF4}. In addition complexation of L2 with zinc chloride afforded complex C3 formulated as [ZnL2Cl2]. DFT and TDDFT computations permitted to investigate the frontier MOs of all species and to assign their UV-visible absorption bands.

Journal of Organometallic Chemistry published new progress about Crystal structure. 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

Kurniawan, Yehezkiel Steven; Thomas, Kevin; Hendra; Jumina; Wahyuningsih, Tutik Dwi published the artcile< Green synthesis of alkyl 8-(2-butyl-5-octyl-1, 3-dioxolan-4-yl)octanoate derivatives as potential biolubricants from used frying oil>, Synthetic Route of 112-63-0, the main research area is alkylbutyl octyl dioxolanyl octanoate biolubricant frying oil green synthesis.

Three pentanal-derived acetal esters have been prepared using a sonochem. method employing the principles of green chem. As many as two steps were required to produce these esters of alkyl 9,10- dihydroxystearate in 67-85% yield. The green synthesis evaluation was carried out through a comparison between reflux and sonochem. methods, as well as homogeneous and solid acid catalysts. Activation of Indonesian natural bentonite was conducted by Bronsted acid-enabled dealumination to obtain a low-cost solid acid catalyst. It was found that sonochem. esterification of the acid-catalyzed by H-bentonite gave products in up to 70% yield in 3 times shorter reaction time than the reflux method, which is remarkable. The final acetalization step with n-pentanal in the presence of H-bentonite with sonochem. method afforded three pentanal-derived dioxolane derivatives in 69-85% yields, which are higher than the conventional method. Examination of the physicochem. properties of each product revealed that Me 8-(2-butyl-5-octyl-1,3-dioxolan-4-yl)octanoate is the most suitable novel biolubricant to substitute currently com. lubricant.

ScienceAsia published new progress about Acetalization. 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