Month: November 2022

Peddagopu, Nishant published the artcileA One-Pot Synthesis of “”K(hfa) glyme”” Adducts: Effect of the Polyether Length on the Ion Coordination Sphere, COA of Formula: C10H22O5, the main research area is potassium diketonate polyether polymeric complex preparation crystal structure; thermal stability potassium diketonate polyether polymeric complex.

Potassium complexes are starting to gather more and more interest from academia and industry because of their intriguing application possibilities. Novel adducts of potassium hexafluoroacetylacetonato [K(hfa)] with polyethers (monoglyme, diglyme, triglyme, and tetraglyme) were synthesized through a single step reaction and characterized through FTIR spectroscopy as well as 1H and 13C NMR spectroscopy. Single crystal x-ray diffraction studies enabled the identification of fascinating K coordination polymeric networks.

European Journal of Inorganic Chemistry published new progress about Crystal structure. 143-24-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11,14-Pentaoxapentadecane, and the molecular formula is C10H22O5, COA of Formula: C10H22O5.

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

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

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

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

Lin, Qianming published the artcileKinetic trapping of 3D-printable cyclodextrin-based poly(pseudo)rotaxane networks, HPLC of Formula: 23783-42-8, the main research area is cyclodextrin polypseudo rotaxane network three dimensional printing.

Synthetically trapping kinetically varied (super)structures of mol. assemblies and amplifying them to the macroscale is a promising, yet challenging, approach for the advancement of meta-stable materials. Here, we demonstrated a concerted kinetic trapping design to timely resolve a set of transient polypseudorotaxanes in solution and harness a crop of them via micro-crystallization By installing stopper or speed bump moieties on the polymer axles, meta-stable polypseudorotaxanes with segmented cyclodextrin blocks were hierarchically amplified into crystalline networks of different crosslinking densities at mesoscale and viscoelastic hydrogels with 3D-printability in bulk. We demonstrated simultaneous 3D-printing of two polypseudorotaxane networks from one reactive ensemble and their conversion to heterogeneous polyrotaxane monoliths. Spatially programming the macroscale shapes of these heterogeneous polyrotaxanes enabled the construction of moisture-responsive actuators, in which the shape morphing originated from the different numbers of cyclodextrins interlocked in these polyrotaxane networks.

Chem published new progress about Crystal structure. 23783-42-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11-Tetraoxatridecan-13-ol, and the molecular formula is C9H20O5, HPLC of Formula: 23783-42-8.

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

Mikesell, Logan published the artcileStepwise PEG synthesis featuring deprotection and coupling in one pot, Application of 2,5,8,11-Tetraoxatridecan-13-ol, the main research area is polyethylene glycol deprotection coupling one pot synthesis; PEG; base-labile; monodisperse; polyethylene glycol; protecting group.

The stepwise synthesis of monodisperse polyethylene glycols (PEGs) and their derivatives usually involves using an acid-labile protecting group such as DMTr and coupling the two PEG moieties together under basic Williamson ether formation conditions. Using this approach, each elongation of PEG is achieved in three steps – deprotection, deprotonation and coupling – in two pots. Here, we report a more convenient approach for PEG synthesis featuring the use of a base-labile protecting group such as the phenethyl group. Using this approach, each elongation of PEG can be achieved in two steps – deprotection and coupling – in only one pot. The deprotonation step, and the isolation and purification of the intermediate product after deprotection using existing approaches are no longer needed when the one-pot approach is used. Because the stepwise PEG synthesis usually requires multiple PEG elongation cycles, the new PEG synthesis method is expected to significantly lower PEG synthesis cost.

Beilstein Journal of Organic Chemistry published new progress about Coupling reaction. 23783-42-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11-Tetraoxatridecan-13-ol, and the molecular formula is C9H20O5, Application of 2,5,8,11-Tetraoxatridecan-13-ol.

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

Taylor, Morgan E. published the artcileExamining the Impact of Polyzwitterion Chemistry on Lithium Ion Transport in Ionogel Electrolytes, Synthetic Route of 143-24-8, the main research area is examining polyzwitterion chem lithium ion transport ionogel electrolyte.

A series of polyzwitterion-supported gels featuring two classes of lithium-containing ionic liquid (IL) electrolytes have been created to examine the impact of different zwitterionic (ZI) group chemistries on lithium ion conductivity in these nonvolatile electrolytes. ZI homopolymer-supported gels containing poly(carboxybetaine methacrylate) (pCBMA), poly(2-methacryloyloxyethylphosphorylcholine) (pMPC), poly(sulfobetaine vinylimidazole) (pSBVI), and poly(sulfobetaine 2-vinylpyridine) (pSB2VP) were realized by rapid, in situ UV photopolymerization Within a 1 M solution of lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) in a conventional IL, strong Coulombic interactions between ZI moieties and Li+ cations promoted higher ion self-diffusivities for all zwitterion types and generated improved Li+ conductivities. In particular, the pCBMA and pMPC gels exhibited improved lithium transference numbers of 0.37 and 0.38, resp., compared to 0.23 for the IL solution In the solvate ionic liquid (SIL) prepared from an equimolar mixture of LiTFSI and tetraglyme, the pCBMA scaffold resulted in the largest room temperature Li+ conductivity achieved, 0.44 mS cm-1 (vs. 0.23 mS cm-1 in the neat SIL). The carboxybetaine ZI motif yielded the largest boost in Li+ conductivity in both IL electrolyte types, which was found to be correlated to this monomer generating the largest downfield 7Li NMR chem. shift in solution This study illustrates the great potential of polyzwitterions for future application in lithium ion batteries and reveals the importance of zwitterion chem. when selecting materials for nonaqueous ionogel electrolytes.

ACS Applied Polymer Materials published new progress about Coulomb potential. 143-24-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11,14-Pentaoxapentadecane, and the molecular formula is C10H22O5, Synthetic Route of 143-24-8.

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

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