Sakti, Aditya Wibawa et al. published their research in Journal of Chemical Theory and Computation in 2018 |CAS: 2160-93-2

The Article related to pka amine aqueous solution protonation dftb3 metadynamics simulation, Phase Equilibriums, Chemical Equilibriums, and Solutions: Acid-Base Equilibriums, Complex Formation and other aspects.HPLC of Formula: 2160-93-2

On January 9, 2018, Sakti, Aditya Wibawa; Nishimura, Yoshifumi; Nakai, Hiromi published an article.HPLC of Formula: 2160-93-2 The title of the article was Rigorous pKa Estimation of Amine Species Using Density-Functional Tight-Binding-Based Metadynamics Simulations. And the article contained the following:

Predicting pKa values for different types of amine species with high accuracy and efficiency is of critical importance for the design of high performance and economical solvents in carbon capture and storage with aqueous amine solutions In this study, we demonstrate that d.-functional tight-binding (DFTB) metadynamics simulations are a promising approach to calculate the free energy difference between the protonated and neutral states of amines in aqueous solution with inexpensive computational cost. The calculated pKa values were in satisfactory agreement with the exptl. values, the mean absolute deviation being only 0.08 pKa units for 34 amines commonly used in CO2 scrubbing. Such superior reproducibility and correlation compared to estimations by static quantum mech. calculations highlight the significant effect of dynamical proton transfer processes in explicit solvent mols. for the improvement of the estimation accuracy. Note that the accuracy of the estimated pKa might be dependent on the adopted systems, due to the limitation of the DFTB parameter. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).HPLC of Formula: 2160-93-2

The Article related to pka amine aqueous solution protonation dftb3 metadynamics simulation, Phase Equilibriums, Chemical Equilibriums, and Solutions: Acid-Base Equilibriums, Complex Formation and other aspects.HPLC of Formula: 2160-93-2

Referemce:
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Li, Zhi-Xin et al. published their research in Molecular Catalysis in 2020 |CAS: 111-29-5

The Article related to hydrogenation bio furfural cobalt catalyst zeolitic imidazolate frame, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Reference of Pentane-1,5-diol

On August 31, 2020, Li, Zhi-Xin; Wei, Xian-Yong; Yang, Zheng; Li, Jun; Yan, Wei-Wei; Bie, Lei-Lei; Zhang, Yang-Yang; Li, Sheng; Zong, Zhi-Min published an article.Reference of Pentane-1,5-diol The title of the article was Selective hydrogenation of bio-based furfural over Co-based catalysts derived from zeolitic imidazolate frame materials. And the article contained the following:

Co-Zn/NC was prepared by a sacrificial template self-reduction method with zeolitic imidazolate frame-8 (ZIF-8) impregnating the Co2+ as the precursor. At 125°C for 2.5 h, furfural was completely converted to furan-2-ylmethanol (FM) over Co17Zn/NC600, while FM selectivity over Co/NC600 is only 70.6%. According to multiple characterizations, Co17Zn/NC600 (Co loading 17%, calcined at 600°C) consists of flower-like spherical Co3ZnC nanoparticles (NPsCo3ZnC) uniformly distributed on its surface. The NPsCo3ZnC are the main active ingredients for highly selective furfural hydrogenation to FM, which is confirmed by furfural hydrogenation over Co-Zn/NC prepared with different Co loadings and different calcination temperatures The excellent activity and stability of Co17Zn/NC600 were confirmed by recycling experiment and furfural conversion is still above 90% after repeated use of Co17Zn/NC600 for 8 cycles. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Reference of Pentane-1,5-diol

The Article related to hydrogenation bio furfural cobalt catalyst zeolitic imidazolate frame, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Reference of Pentane-1,5-diol

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Zhang, Dejin et al. published their research in ACS Omega in 2022 |CAS: 96-76-4

The Article related to efficient recyclable catalyst alkylation reaction phenol tert butyl alc, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.HPLC of Formula: 96-76-4

On September 6, 2022, Zhang, Dejin; Sun, Shu; Wu, Qi; Xie, Yong; Liu, Chengcheng; Wang, Cong; Zhang, Keying; Shi, Hongwei; Zhuo, Xin; Wang, Hongyan published an article.HPLC of Formula: 96-76-4 The title of the article was Efficient and Easily Recyclable Catalyst for the Alkylation Reaction of Phenol and tert-Butyl Alcohol. And the article contained the following:

Tert-Butylphenol is widely used as an intermediate in organic synthesis, and the catalyst for the alkylation reaction of phenol and tert-Bu alc. is the key to synthesizing tert-butylphenol. In our work, a catalyst, 1H-imidazole-1-acetic acid tosilate ([HIMA]OTs), was synthesized and characterized, and an efficient and easily recyclable catalytic system of an ionic liquid was established. In addition, the kinetic and thermodn. parameters were calculated; the pos. value of ΔH* indicated the endothermic nature of the alkylation reaction, and the pos. value of ΔS* and neg. value of ΔG* implied that the process of alkylation of phenol and tert-Bu alc. was spontaneous in the current reaction system. The recovery experiments of [HIMA]OTs were performed, and an excellent recycling performance was obtained. This method provides a potential way for the industrial synthesis of tert-butylphenol. The experimental process involved the reaction of 2,4-Di-tert-butylphenol(cas: 96-76-4).HPLC of Formula: 96-76-4

The Article related to efficient recyclable catalyst alkylation reaction phenol tert butyl alc, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.HPLC of Formula: 96-76-4

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Alcohol – Wikipedia,
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Yeh, Jyun-Yi et al. published their research in Journal of Catalysis in 2020 |CAS: 111-29-5

The Article related to synergistic platinum embedded catalyst al2o3 nabh4 hydrogenolysis biomass, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Reference of Pentane-1,5-diol

On October 31, 2020, Yeh, Jyun-Yi; Matsagar, Babasaheb M.; S. Chen, Season; Sung, Hsiang-Ling; Tsang, Daniel C. W.; Li, Yi-Pei; Wu, Kevin C.-W. published an article.Reference of Pentane-1,5-diol The title of the article was Synergistic effects of Pt-embedded, MIL-53-derived catalysts (Pt@Al2O3) and NaBH4 for water-mediated hydrogenolysis of biomass-derived furfural to 1,5-pentanediol at near-ambient temperature. And the article contained the following:

We demonstrate an effective and selective conversion of biomass-derived furfural (FAL) to 1,5-pentanediol (1,5-PD) with high yields through a water-mediated hydrogenolysis process under mild reaction conditions (45°C, aqueous media). A novel alumina-supported platinum catalyst (Pt@Al2O3) with high-loading and uniform distribution of Pt nanoparticles is prepared through in situ synthesis of Pt-embedded metal-organic frameworks (i.e., MIL-53(Al)-NH2). As a typical example, a high yield of 75.2% 1,5-PD can be achieved from FAL conversion. A possible reaction mechanism is proposed based on the exptl. and computational findings, including XPS anal., kinetic studies, acidity measurements, and d. functional theory (DFT) calculations The high effectiveness of the proposed system is attributed to (1) the strong metal support interaction (SMSI) between Pt and penta-coordination aluminum, and (2) the synergistic effects of Bronsted acidic alumina support and the presence of sodium metaborate (NaBO2). Sodium borohydride (NaBH4) acts as both a hydrogen donor and a precursor for NaBO2, which results in an exclusive FAL to 1,5-PD (i.e., no 1,2-pentanediol) by regulating the water-mediated hydrogenolysis pathway as revealed by experiments and DFT calculations The reaction strategy proposed in this study has also manifested remarkable versatility for a wide range of furan derivatives The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Reference of Pentane-1,5-diol

The Article related to synergistic platinum embedded catalyst al2o3 nabh4 hydrogenolysis biomass, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Reference of Pentane-1,5-diol

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Li, Xinsheng et al. published their research in Catalysis Letters in 2021 |CAS: 111-29-5

The Article related to platinum molybdenum disulfide catalyst tetrahydrofurfuryl alc hydrogenation, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Name: Pentane-1,5-diol

On September 30, 2021, Li, Xinsheng; Pang, Jifeng; Luo, Wenhao; Zhao, Yu; Pan, Xiaoli; Zheng, Mingyuan published an article.Name: Pentane-1,5-diol The title of the article was Catalytic Conversion of Tetrahydrofurfuryl Alcohol over Stable Pt/MoS2 Catalysts. And the article contained the following:

MoS2 supported noble metal catalysts were used for the catalytic conversion of terahydrofurfuryl alc. (THFA) to 1,5-pentanediol (1,5-PDO) and its derivate tetrahydropyrane (THP). Over the optimal 4%Pt/MoS2-FR catalyst, 75.8% overall selectivity (35.4% to 1,5-PDO and 40.4% to THP) and 63.7% conversion of 5 wt% THFA solution were obtained after 8 h reaction at 250°C. The catalyst showed stable catalytic performance in five-cycle reactions, demonstrating the robustness of Pt/MoS2 under the harsh hydrothermal and hydrogenation conditions. A variety of characterizations, including CO-DRIFTS, HRTEM, H2-TPR, Raman spectroscopy and XPS revealed that typical behavior of strong metal-support interaction (SMSI) existed between Pt and MoS2, largely caused by the coverage of MoS2 over Pt and rarely reported previously. The Pt/MoS2 had intact structure under the harsh conditions thanks to the SMSI and chem. stability of MoS2. The acidity of Pt/MoS2 was negligible, and the active sites for the reaction were attributed to Pt and the Mo sites interacting closely on the catalysts. The reaction pathway was proposed according to the product distributions and the results of conditional experiments The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Name: Pentane-1,5-diol

The Article related to platinum molybdenum disulfide catalyst tetrahydrofurfuryl alc hydrogenation, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Name: Pentane-1,5-diol

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Cao, Peng et al. published their research in ACS Catalysis in 2021 |CAS: 111-29-5

The Article related to zeolite encapsulated copper nanoparticle hydrogenation furfural furfuryl alc, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.HPLC of Formula: 111-29-5

On August 20, 2021, Cao, Peng; Lin, Lu; Qi, Haifeng; Chen, Rui; Wu, Zhijie; Li, Ning; Zhang, Tao; Luo, Wenhao published an article.HPLC of Formula: 111-29-5 The title of the article was Zeolite-Encapsulated Cu Nanoparticles for the Selective Hydrogenation of Furfural to Furfuryl Alcohol. And the article contained the following:

Catalytic hydrogenation of furfural (FFL) to furfuryl alc. (FAL) is one of the pivotal reactions for biomass valorization. Herein, well-defined Cu nanoparticles of ~1.8 nm encapsulated within titanium silicalite-1 (TS-1) have been successfully prepared by an in situ encapsulation approach, which possesses significant advantages in metal dispersion and uniformity compared to the traditional wet impregnation method. After a Na ion-exchange process for modulation of the zeolite microenvironment, the obtained Na-Cu@TS-1 catalyst affords an enhanced activity and selectivity in the selective hydrogenation of FFL into FAL, with a FFL conversion of 93.0% and a FAL selectivity of 98.1% at 110°C, 10 bar H2, after a reaction time of 2 h. A turnover frequency value of 55.2 h-1 has been achieved, reflecting some of the highest activity for Cu-based heterogeneous catalysts under similar conditions. Comprehensive characterization studies reveal that the confined environment of the zeolite could not only provide the spatial restriction for metal particles but also induce an electronic interaction between encapsulated Cu nanoparticles and Ti species in Na-Cu@TS-1, which both lead to effective suppression of the metal aggregation and leaching during catalysis. Na species, added by the ion exchange, not only mediate the acid/basic property of the zeolite for suppressing the side reactions but also modulate the encapsulated Cu species into an electronic-rich state, facilitating the FFL hydrogenation. Deactivation of Na-Cu@TS-1 is primarily caused by Na leaching into the liquid phase, but activity can be almost restored after a Na readdn. process. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).HPLC of Formula: 111-29-5

The Article related to zeolite encapsulated copper nanoparticle hydrogenation furfural furfuryl alc, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.HPLC of Formula: 111-29-5

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Radi, Abd-Elgawad et al. published their research in Electrocatalysis in 2022 |CAS: 473-81-4

The Article related to nickel hydroxide nanoparticle polyeriochrome black t glassy carbon electrode, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Electric Literature of 473-81-4

On September 30, 2022, Radi, Abd-Elgawad; Ashour, Waganat Fakherel-Dien; Elshafey, Reda published an article.Electric Literature of 473-81-4 The title of the article was Glycerol Electrocatalytic Oxidation on Nickel Hydroxide Nanoparticles/Poly-Eriochrome Black T Modified Electrode. And the article contained the following:

A novel nickel hydroxide nanoparticles/poly-Eriochrome Black T modified glassy carbon electrode (Ni(OH)2NPs/PEBT-modified GCE) was easily fabricated and characterized using SEM and electroanal. techniques. The electrogenerated PEBT-modified GCE was used to incorporate the Ni(II) ions before the electrochem. polarization in an alk. medium. Such a platform exhibited excellent catalytic behavior toward glycerol (GLY) in an alk. medium. The oxidation of GLY on the Ni(OH)2NPs/PEBT-modified GCE proceeds in a diffusion-controlled process. The exptl. conditions for the Ni(OH)2NPs/PEBT-modified GCE were optimized. The sensor detected GLY in a wide linear range based on cyclic voltammetry and chronoamperometry from 0.1 to 10 mM and 5 to 500μM, resp. These methods achieved a limit of detection of 0.06 mM and 1.96μM with the sensitivity values of 4.99μA M-1 and 14.94μA M-1, resp. The experimental process involved the reaction of 2,3-Dihydroxypropanoic acid(cas: 473-81-4).Electric Literature of 473-81-4

The Article related to nickel hydroxide nanoparticle polyeriochrome black t glassy carbon electrode, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Electric Literature of 473-81-4

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Rayer, Aravind V. et al. published their research in Journal of Chemical & Engineering Data in 2014 |CAS: 2160-93-2

The Article related to dissociation constant tertiary cyclic amine structural temperature dependence, Phase Equilibriums, Chemical Equilibriums, and Solutions: Acid-Base Equilibriums, Complex Formation and other aspects.Product Details of 2160-93-2

On November 13, 2014, Rayer, Aravind V.; Sumon, Kazi Z.; Jaffari, Laila; Henni, Amr published an article.Product Details of 2160-93-2 The title of the article was Dissociation Constants (pKa) of Tertiary and Cyclic Amines: Structural and Temperature Dependences. And the article contained the following:

The dissociation constants of the conjugate acids of 14 amines (diethylethanolamine, monoethanolamine, n-butyldiethanolamine, t-butyldiethanolamine, n,n-dimethylpropanolamine, methyl-diethanolamine, ethyldiethanolamine, monoethylethanolamine, n,n-dimethylisopropanolamine, triethanolamine, 4-methylpiperazine-1-amine, 3-morpholino propylamine, 4,2-hydroxylethylmorpholine, and triethylamine) were measured over a temperature range between 293.15 and 333.15 K using the potentiometric titration method. The change in standard state thermodn. properties was derived from the van’t Hoff equation. The influence of the steric hindrance, number of -OH groups, and length of alkyl chain on the dissociation constants was identified. Of the studied amines, few sterically hindered derivatives of piperazine, a secondary amine monoethylethanolamine, and a tertiary amine n,n-dimethylpropanolamine have high pKa values but lower standard enthalpy than those of the benchmark amine, monoethanolamine (MEA), and thus were deemed promising for CO2 capture technol. Monoethylethanolamine (MEEA) was found to have the highest basicity (pKa) with the lowest standard state enthalpy (ΔH°/kJ·mol-1). The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Product Details of 2160-93-2

The Article related to dissociation constant tertiary cyclic amine structural temperature dependence, Phase Equilibriums, Chemical Equilibriums, and Solutions: Acid-Base Equilibriums, Complex Formation and other aspects.Product Details of 2160-93-2

Referemce:
Alcohol – Wikipedia,
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Li, Xinsheng et al. published their research in Catalysts in 2021 |CAS: 111-29-5

The Article related to pentanediol furfuryl alc magnesium aluminate platinum catalyst tuning reaction, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Formula: C5H12O2

Li, Xinsheng; Pang, Jifeng; Zhang, Jingcai; Li, Xianquan; Jiang, Yu; Su, Yang; Li, Weizhen; Zheng, Mingyuan published an article in 2021, the title of the article was Tuning the reaction selectivity over MgAl spinel-supported Pt catalyst in furfuryl alcohol conversion to pentanediols.Formula: C5H12O2 And the article contains the following content:

Catalytic conversion of biomass-derived feedstock to high-value chems. is of remarkable significance for alleviating dependence on fossil energy resources. MgAl spinel-supported Pt catalysts were prepared and used in furfuryl alc. conversion. The approaches to tune the reaction selectivity toward pentanediols (PeDs) were investigated and the catalytic performance was correlated to the catalysts’ physicochem. properties based on comprehensive characterizations. It was found that 1-8 weight% Pt was highly dispersed on the MgAl2O4 support as nanoparticles with small sizes of 1-3 nm. The reaction selectivity did not show dependence on the size of Pt nanoparticles. Introducing LiOH onto the support effectively steered the reaction products toward the PeDs at the expense of tetrahydrofurfuryl alc. (THFA) selectivity. Meanwhile, the major product in PeDs was shifted from 1,5-PeD to 1,2-PeD. The reasons for the PeDs selectivity enhancement were attributed to the generation of a large number of medium-strong base sites on the Li-modified Pt catalyst. The reaction temperature is another effective factor to tune the reaction selectivity. At 230°C, PeDs selectivity was enhanced to 77.4% with a 1,2-PeD to 1,5-PeD ratio of 3.7 over 4Pt/10Li/MgAl2O4. The Pt/Li/MgAl2O4 catalyst was robust to be reused five times without deactivation. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Formula: C5H12O2

The Article related to pentanediol furfuryl alc magnesium aluminate platinum catalyst tuning reaction, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Formula: C5H12O2

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Fu, Xiaomin et al. published their research in Molecular Catalysis in 2021 |CAS: 111-29-5

The Article related to hydrotalcite layered double oxide catalyst furfural hydrogenolysis pentanediol, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Electric Literature of 111-29-5

On January 31, 2021, Fu, Xiaomin; Ren, Xiaoqian; Shen, Jiecan; Jiang, Yong; Wang, Yuehua; Orooji, Yasin; Xu, Wenlong; Liang, Jinhua published an article.Electric Literature of 111-29-5 The title of the article was Synergistic catalytic hydrogenation of furfural to 1,2-pentanediol and 1,5-pentanediol with LDO derived from CuMgAl hydrotalcite. And the article contained the following:

A series of layer double metal oxides (LDO) from CuMgAl hydrotalcite precursors were prepared by urea decomposition under different calcination temperatures in this work. Various characterizations including x-ray diffraction, SEM, FTIR, XPS, H2-TPR, NH3-TPD and CO2-TPD were carried out to investigate the structural properties of the as-prepared samples. After calcination at certain temperatures, the resulted LDO presents the excellent catalytic property in the selective hydrogenolysis of furfural (FA) to 1,2-pentanediol (1,2-PeD) and 1,5-pentanediol (1,5-PeD). The Cu+/Cu2+ ratio and the acid-base amount from the calcination process play the key role in the catalytic performance towards this reaction. The optimal catalyst (CuMgAlO-S3) with the maximal Cu+/Cu2+ ratio and the acid-base amount exhibits the best catalytic performance towards hydrogenation of furfural to 1,2-pentanediol (selectivity 55.2%.) and 1,5-pentanediol (selectivity 28.5%) with more than 80% of conversion rate, which indicated the selectivity of 1,2- and 1,5-PeDs counted on the synergistic effect of Cu+ and acid-base properties. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Electric Literature of 111-29-5

The Article related to hydrotalcite layered double oxide catalyst furfural hydrogenolysis pentanediol, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Electric Literature of 111-29-5

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