Category: 91-16-7

On June 4, 2021, Lu, Xu; Kawazu, Ryohei; Song, Jizhou; Yoshigoe, Yusuke; Torigoe, Takeru; Kuninobu, Yoichiro published an article.Category: ethers-buliding-blocks The title of the article was Regioselective C-H Trifluoromethylation of Aromatic Compounds by Inclusion in Cyclodextrins. And the article contained the following:

A regioselective radical C-H trifluoromethylation of aromatic compounds was developed using cyclodextrins (CDs) as additives. The C-H trifluoromethylation proceeded with high regioselectivity to afford the product in good yield, even on the gram scale. In the presence of CDs, some substrates underwent a single trifluoromethylation selectively, whereas mixtures of single- and double-trifluoromethylated products were formed in the absence of the CD. 1H NMR experiments indicated that the regioselectivity was controlled by the inclusion of a substrate inside the CD cavity. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).Category: ethers-buliding-blocks

The Article related to aromatic compound regioselective trifluoromethylation, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Halides and Halonium Compounds and other aspects.Category: ethers-buliding-blocks

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On August 9, 2022, Chen, Zekun; Bononi, Fernanda C.; Sievers, Charles A.; Kong, Wang-Yeuk; Donadio, Davide published an article.HPLC of Formula: 91-16-7 The title of the article was UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning. And the article contained the following:

Predicting UV-visible absorption spectra is essential to understand photochem. processes and design energy materials. Quantum chem. methods can deliver accurate calculations of UV-visible absorption spectra, but they are computationally expensive, especially for large systems or when one computes line shapes from thermal averages Here, we present an approach to predict UV-visible absorption spectra of solvated aromatic mols. by quantum chem. (QC) and machine learning (ML). We show that a ML model, trained on the high-level QC calculation of the excitation energy of a set of aromatic mols., can accurately predict the line shape of the lowest-energy UV-visible absorption band of several related mols. with less than 0.1 eV deviation with respect to reference exptl. spectra. Applying linear decomposition anal. on the excitation energies, we unveil that our ML models probe vertical excitations of these aromatic mols. primarily by learning the at. environment of their Ph rings, which align with the phys. origin of the èŸ?鈫捪â‚? electronic transition. Our study provides an effective workflow that combines ML with quantum chem. methods to accelerate the calculations of UV-visible absorption spectra for various mol. systems. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).HPLC of Formula: 91-16-7

The Article related to aromatic mol uv visible absorption spectra quantum chem learning, Optical, Electron, and Mass Spectroscopy and Other Related Properties: Electronic Spectroscopy and other aspects.HPLC of Formula: 91-16-7

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On December 31, 2021, Bolt, Yaroslav V.; Baleeva, Nadezhda S.; Nelyubina, Yulia V.; Andrianova, Anastasia A.; Kaskova, Zinaida M.; Tsarkova, Aleksandra S. published an article.COA of Formula: C8H10O2 The title of the article was Novel Benzothiophene-Based Fluorescent Dye Exhibiting a Large Stokes Shift. And the article contained the following:

We report a simple two-step method for the synthesis of a novel highly fluorescent benzothiophene-based dye comprising five fused rings and exhibiting a large Stokes shift (螖位 = 152 nm or 螖谓 = 5482 cm-1 in ethanol). Structural features of the obtained compound allow easy functionalization of the carbon core and open new possibility for the development of a series of new classes of fluorescent dyes. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).COA of Formula: C8H10O2

The Article related to benzothiophene fluorescent dye stokes shift, Dyes, Organic Pigments, Fluorescent Brighteners, and Photographic Sensitizers: Heterocyclics and other aspects.COA of Formula: C8H10O2

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Yan, Penghui; Li, Molly Meng-Jung; Kennedy, Eric; Adesina, Adesoji; Zhao, Guangyu; Setiawan, Adi; Stockenhuber, Michael published an article in 2020, the title of the article was The role of acid and metal sites in hydrodeoxygenation of guaiacol over Ni/Beta catalysts.Formula: C8H10O2 And the article contains the following content:

Hydrodeoxygenation (HDO) of guaiacol over Ni metal supported on zeolites (H-Beta and H-ZSM-5) with different Si/Al ratios (12.5, 25, 175) and different metal loadings (2.3-23.4 weight%) was investigated in order to elucidate the role of catalyst acidity and the structure of Ni in the HDO reaction. Results show that the deoxygenation activity and product selectivity depend on the choice of support (acidity, pore size), level of metal loading, and reaction conditions. Guaiacol was deoxygenated in the presence of hydrogen with a maximum cyclohexane yield of 76% at a guaiacol conversion level of 100% over 15.7 weight% Ni/Beta-12.5 catalyst. Compared to Ni/ZSM-5 catalysts, Ni/Beta catalysts with mesopores facilitated the formation of coupling products (1,1′-bicyclohexyl). Under differential reaction conditions, we observed a linear relationship between deoxygenation activity and concentration of acid sites. Over catalysts containing small Ni particles, cyclohexane was formed as a result of a consecutive reduction of guaiacol to catechol and cyclohexane. At higher Ni-loading and consequently larger Ni particles, the selectivity towards cyclohexane increases with increased Ni loading. A higher concentration of nickel hydrides compared to smaller Ni sites was observed by H2-TPD and H2-FTIR over larger Ni species, and the nickel hydrides are believed to be crucial intermediates in the hydrogenation reaction. The 15.7 weight% Ni/Beta (Si/Al = 12.5) exhibits a promising HDO activity due to its good synergistic effect of hydrogenation and deoxygenation functions (high concentration nickel hydrides of and acid sites). In addition, based on the product distribution over catalysts containing mainly small Ni species and the Ni nanoparticles, two different reaction pathways were proposed, and the role of the acid sites and metal sites for each reaction route was discussed. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).Formula: C8H10O2

The Article related to guaiacol hydrodeoxygenation nickel beta catalyst acid metal site, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Formula: C8H10O2

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On April 30, 2021, Yan, Penghui; Kennedy, Eric; Stockenhuber, Michael published an article.Category: ethers-buliding-blocks The title of the article was Hydrodeoxygenation of guiacol over ion-exchanged ruthenium ZSM-5 and BEA zeolites. And the article contained the following:

Ion exchanged Ru/ZSM-5 and Ru/BEA catalysts, prepared by replacing the extra framework NH+4 cations in zeolites with Ru3+ ions, are employed for the hydrodeoxygenation of guaiacol. The performance results indicate ion-exchanged Ru zeolites, with extremely low Ru contents (�.2 wt%), possess a high intrinsic HDO activity compared to the catalysts prepared by the incipient wetness impregnation method. On the basis of TEM, FTIR, XPS and TPD anal., the NH+4 ions in zeolite were substituted by Ru species, with metal particles entered the zeolite cages and finely dispersed on the support. These ion-exchanged Ru particles exhibit a strong electronic interaction with oxygen atoms of zeolite framework with a mixed Ru(0)-Ru(III) species observed in the reduced samples. In contrast, only Ru0 was detected in the reduced impregnated Ru/ZSM-5. The partial-reduced Ru species over the ion-exchanged Ru/ZSM-5 catalyst shows a high H2 adsorption activity facilitating the hydrogenation of guaiacol to the saturated products (such as 2-methoxycyclohexanol). In addition, ion-exchanged Ru-ZSM-5 and Ru-BEA catalysts present a similar normalized cyclohexane formation rate (based on the concentration of acid sites), suggesting the acid sites play a pivotal role in the deoxygenation of 2-methoxycyclohexanol to cyclohexane. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).Category: ethers-buliding-blocks

The Article related to hydrodeoxygenation guiacol ion exchange ruthenium zeolite, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Category: ethers-buliding-blocks

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On November 22, 2021, Yan, Penghui; Tian, Xinxin; Kennedy, Eric M.; Tkachenko, Olga Petrovna; Stockenhuber, Michael published an article.Electric Literature of 91-16-7 The title of the article was Influence of Promoters (Fe, Mo, W) on the Structural and Catalytic Properties of Ni/BEA for Guaiacol Hydrodeoxygenation. And the article contained the following:

Hydrodeoxygenation (HDO) of guaiacol was investigated over BEA supported bimetallic Ni-Fe, Ni-Mo, Ni-W catalysts in a continuous-flow reactor. The electronic properties of Ni were significantly modified following the addition of W and Fe as analyzed by XPS and TPD, which is well in line with DFT calculations, suggesting that the formation of Ni-Fe and Ni-W alloys is thermodynamically favorable while the generation of a Ni-Mo alloy is unfavored. The rate of HDO over 9 wt % Ni/BEA catalyst was significantly improved following the incorporation of small quantities (<2.2 wt %) of Mo or Fe, while the incorporation of W decreased the HDO rate. The selectivity to hydrogenation products over Ni-Fe/BEA catalyst was not altered compared to Ni/BEA during the hydrogenation of toluene, indicating the observed increase in guaiacol conversion was engendered by the promotion of the direct hydrogenolysis of guaiacol to aromatics over Ni-Fe species. The hydrogenation and HDO rates of Ni-Mo/BEA catalyst were both higher than Ni/BEA, which was attributed to the increased Ni dispersion promoted by Mo as indicated by similar TOFNi values observed over Ni/BEA and Ni-Mo/BEA. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).Electric Literature of 91-16-7

The Article related to metal promote nickel bea guaiacol hydrodeoxygenation, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Electric Literature of 91-16-7

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Yan, Penghui; Tian, Xinxin; Kennedy, Eric M.; Stockenhuber, Michael published an article in 2022, the title of the article was The role of Ni sites located in mesopores in the selectivity of anisole hydrodeoxygenation.Safety of 1,2-Dimethoxybenzene And the article contains the following content:

A highly dispersed Ni catalyst with an increased number of Ni sites selectively distributed in the mesopores of HBEA has been developed and applied in anisole hydrodeoxygenation (HDO) in a continuous-flow reactor under a high WHSV (2.8 min-1). The developed catalyst (Ni/BEA-OR-PH) displayed a significantly higher cyclohexane formation rate compared to the catalysts prepared by incipient wetness impregnation (Ni/BEA-IWI) and deposition-precipitation (Ni/BEA-DP) methods, which was attributed to its higher number of accessible active metal sites in mesopores. While the Ni/BEA-DP as well as Ni/BEA-OR-PH exhibited a high dispersion, a higher concentration of Ni species was located in micropores and distributed as charge-compensating cations, leading to a low concentration of high-temperature desorbed H per surface Ni, which facilitates the hydrogenolysis activity but restricts the hydrogenation of aromatics Therefore, a high yield of BTX (benzene, toluene and xylene isomers) products was detected over Ni/BEA-DP. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).Safety of 1,2-Dimethoxybenzene

The Article related to anisole hydrodeoxygenation mesopore nickel catalyst, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Safety of 1,2-Dimethoxybenzene

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Zeng, Xu; Akiyama, Takuya; Yokoyama, Tomoya; Matsumoto, Yuji published an article in 2020, the title of the article was Contribution of the γ-hydroxy group to the β-O-4 bond cleavage of lignin model compounds in a basic system using tert-butoxide.HPLC of Formula: 91-16-7 And the article contains the following content:

The most common non-phenolic β-O-4-type lignin model compounds with or without the γ-hydroxymethyl group (C6-C3- or C6-C2-type, resp.) were treated in a 0.5 mol/L potassium tert-butoxide in DMSO solution at 30°C to examine the effects of presence of the group. The β-O-4 bond of the C6-C3-type cleaved more rapidly than the C6-C2-type, indicating that the γ-hydroxy group contributes to the cleavage, in contrast to their reactions in alk. pulping processes. Furthermore, the β-O-4 bond of the threo isomer of the C6-C3-type cleaved more rapidly than that of the erythro isomer. This result can be attributed to the fact that the erythro isomer has the hydrogen bond between a generated alkoxide and the other hydroxy group at its α- and γ-positions in its most-preferential conformer, interfering with the β-O-4 bond cleavage. It was also suggested in treatments of their methyl-etherified derivatives at the α- or γ-hydroxy group that the contribution of the γ-hydroxy group of the threo isomer is greater than that of the erythro isomer. Detailed examination of the distribution profile of reaction products supported this greater contribution of the γ-hydroxy group of the threo isomer. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).HPLC of Formula: 91-16-7

The Article related to lignin model compound potassium tertiary butoxide bond cleavage, Cellulose, Lignin, Paper, and Other Wood Products: Lignin and other aspects.HPLC of Formula: 91-16-7

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Kusumoto, Shuhei; Kishino, Masamichi; Nozaki, Kyoko published an article in 2020, the title of the article was Cleavage of C-C and C-O Bonds in β-O-4 Linkage of Lignin Model Compound by Cyclopentadienone Group 8 and 9 Metal Complexes.COA of Formula: C8H10O2 And the article contains the following content:

Degradation of 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol (1), a model compound for lignin β-O-4 linkage was examined with iron, ruthenium, rhodium and iridium complexes bearing cyclopentadienone ligand. Cyclopentadienone iron complex gave only a small amount of degraded product with reduced mol. weight Cyclopentadienone ruthenium complex, so called Shvo’s catalyst, afforded 3,4-dimethoxybenzaldehyde (a3) in 14.3% yield after Cα-Cβ bond cleavage. On the other hand, cyclopentadienone group-9 metal complexes catalyzed Cβ-O bond cleavage to afford guaiacol (b1) as a main product in up to 74.9% yield. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).COA of Formula: C8H10O2

The Article related to lignin metal ligand cooperation retro aldol reaction, Cellulose, Lignin, Paper, and Other Wood Products: Lignin and other aspects.COA of Formula: C8H10O2

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On September 15, 2021, Siccama, Joanne W.; Pegiou, Eirini; Eijkelboom, Nienke M.; Zhang, Lu; Mumm, Roland; Hall, Robert D.; Schutyser, Maarten A. I. published an article.COA of Formula: C8H10O2 The title of the article was The effect of partial replacement of maltodextrin with vegetable fibres in spray-dried white asparagus powder on its physical and aroma properties. And the article contained the following:

Asparagus concentrate was spray-dried in different carrier formulations in which maltodextrin was partially replaced by cellulose-based carriers, i.e. asparagus fiber, citrus fiber or microcrystalline cellulose. This replacement was limited to a maximum level of 3% weight/weight for asparagus and citrus fibers, and 10% weight/weight for microcrystalline cellulose, due to fiber insolubility and increased viscosity of the feed. Powders obtained from feed solutions with an initial solids content of 40% weight/weight showed better phys. properties and aroma retention than 30% weight/weight Partial replacement of maltodextrin by cellulose-based carriers resulted in powders with similar phys. properties as the control and did not detrimentally influence the aroma profiles as analyzed by headspace solid-phase microextraction and gas chromatog.-mass spectrometry. This research shows that fiber obtained from asparagus waste streams could potentially be used as a carrier to produce spray-dried asparagus powder with retained key asparagus volatiles such as 2-methoxy-3-iso-Pr pyrazine. The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).COA of Formula: C8H10O2

The Article related to maltodextrin vegetable fiber asparagus spray drying aroma, asparagus fibres, gc–ms, maltodextrin, metabolomics, spray drying, volatiles retention, Food and Feed Chemistry: Fruits, Vegetables, Legumes, and Nuts and other aspects.COA of Formula: C8H10O2

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