Tag: M.W=150-200

Claffey, Michelle M. published the artcileApplication of Structure-Based Drug Design and Parallel Chemistry to Identify Selective, Brain Penetrant, In Vivo Active Phosphodiesterase 9A Inhibitors, Recommanded Product: 3-Phenoxyazetidine hydrochloride, the main research area is structure preparation phosphodiesterase 9A inhibitor brain penetration Alzheimer’s t.

Phosphodiesterase 9A inhibitors have shown activity in preclin. models of cognition with potential application as novel therapies for treating Alzheimer’s disease. Our clin. candidate, PF-04447943 (2), demonstrated acceptable CNS permeability in rats with modest asymmetry between central and peripheral compartments (free brain/free plasma = 0.32; CSF/free plasma = 0.19) yet had physicochem. properties outside the range associated with traditional CNS drugs. To address the potential risk of restricted CNS penetration with 2 in human clin. trials, we sought to identify a preclin. candidate with no asymmetry in rat brain penetration and that could advance into development. Merging the medicinal chem. strategies of structure-based design with parallel chem., a novel series of PDE9A inhibitors was identified that showed improved selectivity over PDE1C. Optimization afforded preclin. candidate 19 that demonstrated free brain/free plasma ≥1 in rat and reduced microsomal clearance along with the ability to increase cyclic guanosine monophosphosphate levels in rat CSF.

Journal of Medicinal Chemistry published new progress about Alzheimer disease. 301335-39-7 belongs to class ethers-buliding-blocks, name is 3-Phenoxyazetidine hydrochloride, and the molecular formula is C9H12ClNO, Recommanded Product: 3-Phenoxyazetidine hydrochloride.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Taniike, Toshiaki published the artcileStabilizer formulation based on high-throughput chemiluminescence imaging and machine learning, Product Details of C11H16O2, the main research area is stabilizer formulation chemiluminescence imaging learning.

The combination of synergistic stabilizers is a basic strategy for prolonging the lifetime of polymeric materials, but exploration of combinations has been minimally accomplished due to certain problems. Here, we report a highly efficient exploration of stabilizer formulations based on high-throughput chemiluminescence imaging (HTP-CLI) and machine learning. Different formulations were generated by selecting 10 kinds of stabilizers from a library, and their performance in stabilizing polypropylene (PP) was evaluated based on HTP-CLI measurements. Formulations were evolved through a genetic algorithm to elongate the lifetime of PP. A demonstrative implementation up to the fifth generation successfully identified performant formulations, in which mutually synergistic combinations of stabilizers played a pivotal role.

ACS Applied Polymer Materials published new progress about Chemiluminescence. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Product Details of C11H16O2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Ferrando, German published the artcileFacile C(sp2)/OR bond cleavage by Ru or Os, Product Details of C8H9ClO, the main research area is osmium phosphine olefin complex DFT; ruthenium phosphine olefin complex DFT; crystal structure osmium phosphine carbyne complex preparation; mol structure osmium phosphine carbyne complex; isomerization osmium phosphine carbene complex kinetics; olefin osmium ruthenium complex preparation isomerization carbene; carbyne osmium complex preparation DFT; vinylidene osmium ruthenium complex preparation DFT.

Os(H)3ClL2 (L = PiPr3 or PtBu2Me) are shown to be useful “”precursors”” to “”OsHClL2″”, which react with vinyl ethers to form first an η2-olefin adduct and then isomerize to the carbenes, OsHCl[CMe(OR)]L2. Subsequent R- and L-dependent reactions involve C(sp2)-OR bond cleavage, to make either carbyne or vinylidene complexes. The mechanisms of these reactions are explored, and the thermodn. disparity of Ru vs. Os and the influence of the OR group and the spectator phosphine ligands are discussed based on DFT (B3PW91) calculations

Inorganic Chemistry published new progress about C-O bond cleavage. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Product Details of C8H9ClO.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Andrea, Kori A. published the artcileIron Complexes for Cyclic Carbonate and Polycarbonate Formation: Selectivity Control from Ligand Design and Metal-Center Geometry, Application of 4-Hydroxy-3-tert-butylanisole, the main research area is aminobisphenolate iron complex preparation crystal mol structure; cyclic carbonate preparation; carbon dioxide reaction epoxide aminobisphenolate iron complex catalyzed.

A family of 17 iron(III) aminobis(phenolate) complexes possessing different phenolate substituents, coordination geometries, and donor arrangements were used as catalysts for the reaction of carbon dioxide (CO2) with epoxides. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry of the iron complexes with a bis(triphenylphosphine)iminium chloride cocatalyst in neg. mode revealed the formation of six-coordinate iron “”ate”” species. Under low catalyst loadings (0.025 mol % Fe and 0.1 mol % chloride cocatalyst), all complexes showed good-to-excellent activity for converting propylene oxide to propylene carbonate under 20 bar of CO2. The most active complex possessed electron-withdrawing dichlorophenolate groups and for a 2 h reaction time gave a turnover frequency of 1240 h-1. Epichlorohydrin, styrene oxide, Ph glycidyl ether, and allyl glycidyl ether could also be transformed to their resp. cyclic carbonates with good-to-excellent conversions. Selectivity for polycarbonate formation was observed using cyclohexene oxide, where the best activity was displayed by trigonal-bipyramidal iron(III) complexes having electron-rich phenolate groups and sterically unencumbering tertiary amino donors. Those containing bulky tertiary amino ligands or those with square-pyramidal geometries around iron showed no activity for polycarbonate formation. While the overall conversions declined with decreasing CO2 pressure, CO2 incorporation remained high, giving a completely alternating copolymer. The difference in the optimum catalyst reactivity for cyclic carbonate vs. polycarbonate formation is particularly noteworthy; i.e., electron-withdrawing-group-containing phenolates give the most active catalysts for propylene carbonate formation, whereas catalysts with electron-donating-group-containing phenolates are the most active for polycyclohexene carbonate formation. This study demonstrates that the highly modifiable aminophenolate ligands can be tailored to yield iron complexes for both CO2/epoxide coupling and ring-opening copolymerization activity.

Inorganic Chemistry published new progress about Crystal structure. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Application of 4-Hydroxy-3-tert-butylanisole.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Singewald, Elizabeth T. published the artcileNovel Hemilabile (Phosphinoalkyl)arene Ligands: Mechanistic Investigation of an Unusual Intramolecular, Arene-Arene Exchange Reaction, Computed Properties of 622-86-6, the main research area is crystal structure rhodium phosphinoethoxybenzene complex; mol structure rhodium phosphinoethoxybenzene complex; intramol exchange free coordinated arene rhodium; phosphinoalkylarene ligand preparation complexation rhodium; phosphinoalkoxyarene ligand preparation complexation rhodium; rhodium phosphinoalkoxyarene phosphinoalkylarene complex preparation; hemilabile phosphinoalkylarene ligand rhodium complex.

The novel, hemilabile (phosphinoalkyl)arene ligands ArX(CH2)2PPh2 (Ar = C6H5, X = O; Ar = C6H5, X = CH2; Ar = 4-FC6H4, X = CH2) were synthesized and complexed to Rh(I) to form the bis(phosphine), η6-arene piano stool complexes [(η6:η1-ArX(CH2)2PPh2)Rh(η1-ArX(CH2)2PPh2)]BF4 (2a-c; shown as I, Y = H, H, F, resp.). Complexes 2a-c were fully characterized in solution, and complex 2a was characterized by single-crystal x-ray diffraction methods. Two of these complexes, 2a and 2c, undergo an unusual, degenerate η6-arene, free arene exchange reaction which was studied by 2-dimensional NMR EXSY experiments A mechanism for the exchange reaction of 2a which involves the formation of a square planar, cis-phosphine, cis-ether Rh(I) complex, [Rh(η2-PhO(CH2)2PPh2)2]BF4, is proposed.

Organometallics published new progress about Crystal structure. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Computed Properties of 622-86-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Lense, Sheri published the artcileEffects of Tuning Intramolecular Proton Acidity on CO2 Reduction by Mn Bipyridyl Species, Application In Synthesis of 127972-00-3, the main research area is hydroxyphenylbipyridyl manganese carbonyl complex preparation electrochem reduction carbon monoxide; crystal structure hydroxyphenylbipyridyl manganese carbonyl complex; mol structure hydroxyphenylbipyridyl manganese carbonyl complex.

To understand the effect of intramol. proton acidity on CO2 reduction by Mn-bipyridyl species, three fac-Mn(CO)3 bipyridine complexes containing intramol. phenol groups of varying acidity were synthesized and electrochem., spectroscopic, and computational studies were performed. While the phenol group acidity has minimal influence on the metal center, the complex containing a fluoro-substituted (more acidic) phenol, MnBr(F-HOPh-bpy)(CO)3, exhibits a decreased catalytic to peak current ratio following the 2nd reduction compared to the complexes with unsubstituted or Me-substituted phenol groups (MnBr(HOPh-bpy)(CO)3 and MnBr(Me-HOPh-bpy)(CO)3, resp.). A 2nd process is also present in the catalytic wave for MnBr(F-HOPh-bpy)(CO)3. Also, MnBr(F-HOPh-bpy)(CO)3 exhibits decreased CO2 production and increased H2 production compared to MnBr(HOPh-bpy)(CO)3. Spectroelectrochem. under an inert atm. in the presence of H2O shows that following the 1st reduction, for both MnBr(F-HOPh-bpy)(CO)3 and MnBr(HOPh-bpy)(CO)3 the major product is a phenoxide-coordinated fac-(CO)3 species formed from reductive deprotonation and the minor product is a 6-coordinate Mn(I)-hydride. For both species, the major species following the 2nd reduction is the 5-coordinate anion believed to be the active catalyst for CO2 reduction, but the Mn(I) hydride persists as a minor species. The IR assignments are supported by theor. calculations Changes to the acidity of an intramol. substituent can have significant effects on catalytic performance and product selectivity of Mn(CO)3 bipyridine catalysts despite having minimal effect on the metal center, with a more acidic intramol. substituent increasing H2 production at the expense of CO2 reduction

Organometallics published new progress about Crystal structure. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Application In Synthesis of 127972-00-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Xu, Hanqing published the artcileConstructing an MCF-7 breast cancer cell-based transient transfection assay for screening RARα (Ant)agonistic activities of emerging phenolic compounds, Application of 4-Hydroxy-3-tert-butylanisole, the main research area is phenolic compound RARalpha antagonist transfection assay breast carcinoma cell; (Ant)agonistic activity; Emerging chemicals of concern; Endocrine disrupting effects; Retinoic acid receptor α (RARα); Transient transfection.

The screening of compounds with endocrine disrupting effects has been attracting increasing attention due to the continuous release of emerging chems. into the environment. Testing the (ant)agonistic activities of these chems. on the retinoic acid receptor α (RARα), a vital nuclear receptor, is necessary to explain their perturbation in the endocrine system in vivo. In the present study, MCF-7 breast carcinoma cells were transiently transfected with a RARα expression vector (pEF1α-RARα-RFP) and a reporter vector containing a retinoic acid reaction element (pRARE-TA-Luc). Under optimized conditions, the performance of the newly constructed system was evaluated for its feasibility in screening the (ant)agonistic effects of emerging phenolic compounds on RARα. The results showed that this transient transfection cell model responded well to stimulation with (ant)agonists of RARα, and the EC50 and IC50 values were 0.87 nM and 2.67μM for AM580 and Ro41-5253, resp. Its application in testing several emerging phenolic compounds revealed that triclosan (TCS) and tetrabromobisphenol A (TBBPA) exerted notable RARα antagonistic activities. This newly developed bioassay based on MCF-7 is promising in identifying the agonistic or antagonistic activities of xenobiotics on RARα and has good potential for studying RARα signaling-involved toxicol. effects of emerging chems. of concern.

Journal of Hazardous Materials published new progress about Crystal structure. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Application of 4-Hydroxy-3-tert-butylanisole.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Chen, Yi-Hao published the artcileCobalt(II) phenoxy-imine complexes in radical polymerization of vinyl acetate: The interplay of catalytic chain transfer and controlled/living radical polymerization, Related Products of ethers-buliding-blocks, the main research area is cobalt phenoxyimine complex catalyst vinyl acetate radical polymerization.

A series of cobalt(II) phenoxy-imine complexes (CoII(FI)2) have been synthesized to mediate the radical polymerization of vinyl acetate (VAc) and Me acrylate (MA) to evaluate the influence of chelating atoms and configuration to the control of polymerization The VAc polymerizations showed the properties of controlled/living radical polymerization (C/LRP) with complexes 1a and 3a, but the catalytic chain transfer (CCT) behaviors with complexes 2a, 1b, 2b, and 3b. The control of VAc polymerization mediated by complex 1a could be improved by decreasing the reaction temperature to approach the mol. weights that not only linearly increased with conversions but also matched the theor. values and relatively narrow mol. weight distributions. The catalytic chain transfer polymerizations (CCTP) mediated by complexes 2a, 1b, 2b, and 3b were characterized by Mayo plots and the polymer chain end double bonds were observed by 1H NMR spectra. The tendency toward C/LRP or CCTP in VAc polymerization mediated by CoII(FI)2 could be determined by the ligand structure. Cobalt complex coordinated by the ligand with more steric hindered and less electron-donating substituents favored the controlled/living radical polymerization In contrast, the efficiency of CCT process could be enhanced by less steric hindered, more electron-donating ligands. The controlled/living radical polymerization of MA, however, could not be achieved by the mediation of these cobalt(II) phenoxy-imine complexes. Associated with the results of polymerization mediated by other cobalt complexes, this study implied that the configuration and spin state of cobalt complexes were more critical than the chelating atoms to the control behavior of radical polymerization

Journal of Polymer Science (Hoboken, NJ, United States) published new progress about Crystal structure. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Related Products of ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Diao, Rui published the artcileFractional valorization of bio-oil distillation residue: Strategically perfecting the pivotal step of biomass refinery system, Quality Control of 121-00-6, the main research area is biooil distillation residue fractional valorization biomass refinery system.

With the gradual maturation of biomass refinery system, the eco-friendly disposal of bio-oil distillation residue (DR) is still required to be explored towards ecol. protection and contaminant management. Here, we proposed a fractional process for valorizing DR through coupling of torrefaction and KOH impregnation (KI), with the emphasis on thermolysis behaviors, kinetic responses, gaseous emissions, product distribution and pyrolytic mechanism. The results indicated low-temperature torrefaction (LTT) promoted the enhancement of pyrolysis rate and accelerated the emissions of light compounds The elevated temperatures for high-temperature torrefaction (HTT) weakened the pyrolysis rate, with the diminishment of 46.02-59.46%, while the subsequent KI process facilitated the pyrolysis rate of HTT-derived DR. The kinetic responses illustrated the activation energies with the enhancement of 21.93%-30.12% increased as pretreatment temperatures increased, ranging from 112.97 to 159.77 kJ/mol. Light torrefaction promoted the emissions of C=C, O-H, and C-H, while the phenols and hydrocarbons among pyrolyzates were the most susceptible to the sequential temperature-dependency responses. The fractional valorization process was more conducive to producing hydrocarbons, ketones, and furans, unfortunately with reductions in phenolic contents, which might be attributed to the hydrogenated DR and decreased ether bonds after torrefying. In addition, cooperating of LTT and subsequent KI was inclined to destroy microcrystalline structure and carbonaceous skeleton for the sake of promoting reaction rate, whereas HTT-derived DR endowed a stable carbon skeleton, which was against the generation of pyrolyzates and enhancement of pyrolytic rate. Generally, the fractional pretreatment was favorable to the acceleration of reaction rates and directional product distribution. Our findings can provide a feasible strategy for efficient disposal of DS towards cleaner production and energy recovery, and laid a puissant foundation for the future large-scale downstream processing of DR and perfection of biomass refinery system towards waste recycling and contaminant control.

Journal of Cleaner Production published new progress about Activation energy. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Quality Control of 121-00-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Liu, Chao published the artcileBioenergy and emission characterizations of catalytic combustion and pyrolysis of litchi peels via TG-FTIR-MS and Py-GC/MS, HPLC of Formula: 121-00-6, the main research area is peel catalytic combustion pyrolysis bioenergy emission characteristics.

This study characterized the catalytic combustions and emissions of litchi peels as a function of five catalysts as well as the effect of the best catalyst on the pyrolysis byproducts. Na2CO3 and K2CO3 accelerated the devolatilization but delayed the coke burnout, while Al2O3 enhanced the coke oxidation rate. Both comprehensive combustion index and average activation energy dropped with the added catalysts. CO2, CO, and H2O were the main combustion gases between 300 and 510°C. CO2, C-H, C=O, and C-O were generated from the pyrolysis between 200 and 430°C above which CO2 and CH4 were slightly released. Total H2O, CO2, CO, NOx and SOx emissions declined with the added catalysts among which K2CO3 performed better. The main pyrolytic byproducts at 330°C were terpenoids and steroids (71.87%), phenols (15.51%), aliphates (9.95%), and small mols. (2.78%). At 500°C, terpenoids and steroids (78.35%), and small mols. (3.20%) rose, whereas phenols (12.87%), and aliphates (5.83%) fell. Fatty acid, and ester decreased, while terpenoids, and steroids increased with MgCO3 at 330°C. Litchi peels appeared to be a promising biowaste, with MgCO3 as the optimal catalytic option in terms of the bioenergy performance, and emission reduction

Renewable Energy published new progress about Activation energy. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, HPLC of Formula: 121-00-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem