Category: 110-03-2

Furmick, Julie K.;Kaneko, Ichiro;Walsh, Angela N.;Yang, Joanna;Bhogal, Jaskaran S.;Gray, Geoffrey M.;Baso, Juan C.;Browder, Drew O.;Prentice, Jessica L. S.;Montano, Luis A.;Huynh, Chanh C.;Marcus, Lisa M.;Tsosie, Dorian G.;Kwon, Jungeun S.;Quezada, Alexis;Reyes, Nicole M.;Lemming, Brittney;Saini, Puneet;van der Vaart, Arjan;Groy, Thomas L.;Marshall, Pamela A.;Jurutka, Peter W.;Wagner, Carl E. published 《Modeling, Synthesis and Biological Evaluation of Potential Retinoid X Receptor-Selective Agonists: Novel Halogenated Analogues of 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic Acid (Bexarotene)》. The research results were published in《ChemMedChem》 in 2012.Safety of 2,5-Dimethyl-2,5-hexanediol The article conveys some information:

The synthesis of halogenated analogs of 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic acid (1), known commonly as bexarotene, and their evaluation for retinoid X receptor (RXR)-specific agonist performance is described. Compound 1 is FDA approved to treat cutaneous T-cell lymphoma (CTCL); however, bexarotene treatment can induce hypothyroidism and elevated triglyceride levels, presumably by disrupting RXR heterodimer pathways for other nuclear receptors. The novel halogenated analogs in this study were modeled and assessed for their ability to bind to RXR and stimulate RXR homodimerization in an RXRE-mediated transcriptional assay as well as an RXR mammalian-2-hybrid assay. In an array of eight novel compounds, four analogs were discovered to promote RXR-mediated transcription with EC₅₀ values similar to that of 1 and are selective RXR agonists. Our approach also uncovered a periodic trend of increased binding and homodimerization of RXR when substituting a halogen atom for a proton ortho to the carboxylic acid on 1. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Safety of 2,5-Dimethyl-2,5-hexanediol

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Product Details of 110-03-2In 2012, Hanai, Yosuke;Shimono, Ken;Oka, Hiroaki;Baba, Yoshinobu;Yamazaki, Kunio;Beauchamp, Gary K. published 《Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice》. 《Cancer Cell International》published the findings. The article contains the following contents:

Backgrounds: A potential strategy for the diagnosis of lung cancer is to exploit the distinct metabolic signature of this disease by way of biomarkers found in different sample types. In this study, we investigated whether specific volatile organic compounds (VOCs) could be detected in the culture medium of the lung cancer cell line A549 in addition to the urine of mice implanted with A549 cells. Results: Several VOCs were found at significantly increased or decreased concentrations in the headspace of the A549 cell culture medium as compared with the culture medium of two normal lung cell lines. We also analyzed the urine of mice implanted with A549 cells and several VOCs were also found to be significantly increased or decreased relative to urine obtained from control mice. It was also revealed that seven VOCs were found at increased concentrations in both sample types. These compounds were found to be di-Me succinate, 2-pentanone, phenol, 2-methylpyrazine, 2-hexanone, 2-butanone and acetophenone. Conclusions: Both sample types produce distinct biomarker profiles, and VOCs have potential to distinguish between true- and false-pos. screens for lung cancer. To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Product Details of 110-03-2

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Product Details of 110-03-2In 2019, Ye, Yang;Chen, Haifeng;Sessler, Jonathan L.;Gong, Hegui published 《Zn-Mediated Fragmentation of Tertiary Alkyl Oxalates Enabling Formation of Alkylated and Arylated Quaternary Carbon Centers》. 《Journal of the American Chemical Society》published the findings. The article contains the following contents:

Zn-mediated reduction of readily accessible dialkyl oxalates derived from tertiary alcs. provides an efficient approach to C-O bond fragmentation and alkyl radical formation. With MgCl₂ as the indispensable additive and Ni as the promoter, trapping the radical with activated alkenes and aryl-Ni intermediates allows for the generation of alkylated and arylated all-carbon quaternary centers. To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Product Details of 110-03-2

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Lomas, John S. published 《¹H NMR spectra of alcohols and diols in chloroform: DFT/GIAO calculation of chemical shifts》 in 2014. The article was appeared in 《Magnetic Resonance in Chemistry》. They have made some progress in their research.Safety of 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

Proton NMR shifts of aliphatic alcs. in chloroform have been computed on the basis of d. functional theory, the solvent being included by the integral-equation-formalism polarizable continuum model of Gaussian 09. Relative energies of all conformers are calculated at the Perdew, Burke and Ernzerhof (PBE)0/6-311+G(d,p) level, and NMR shifts by the gauge-including AO method with the PBE0/6-311+G(d,p) geometry and the cc-pVTZ basis set. The 208 computed CH proton NMR shifts for 34 alcs. correlate very well with the exptl. values, with a gradient of 1.00 ± 0.01 and intercept close to zero; the overall root mean square difference (RMSD) is 0.08 ppm. Shifts for CH protons of diols in chloroform are well correlated with the theor. values for (isotropic) benzene, with similar gradient and intercept (1.02 ± 0.01, -0.13 ppm), but the overall RMSD is slightly higher, 0.12 ppm. This approach generally gives slightly better results than the CHARGE model of Abraham et al. The shifts of unsaturated alcs. in benzene have been re-examined with Gaussian 09, but the overall fit for CH protons is not improved, and OH proton shifts are worse. Shifts of vinyl protons in alkenols are systematically overestimated, and the correlation of computed shifts against the exptl. data for unsaturated alcs. follows a quadratic equation. Splitting the 20 compounds studied into two sets, and applying empirical scaling based on the quadratic for the first set to the second set, gives an RMSD of 0.10 ppm. A multi-standard approach gives a similar result. Copyright © 2014 John Wiley & Sons, Ltd. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Safety of 2,5-Dimethyl-2,5-hexanediol

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Liebold, Martin;Sharikow, Eugen;Seikel, Elisabeth;Trombach, Lukas;Harms, Klaus;Zimcik, Petr;Novakova, Veronika;Tonner, Ralf;Sundermeyer, Joerg published 《An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units》 in 2018. The article was appeared in 《Organic & Biomolecular Chemistry》. They have made some progress in their research.Related Products of 110-03-2 The article mentions the following:

Herein, the authors present a series of isomerically pure, peripherally alkyl substituted, soluble and low aggregating azaphthalocyanines as well as their new, smaller hybrid homologs, azasubphthalocyanines. The focus lies on the effect of the systematically increasing number of aza building blocks [-N=] replacing the non-peripheral [-CH=] units and their influence on the phys. and photophys. properties of these chromophores. The absolute and relative HOMO-LUMO energies of azaphthalocyanines were analyzed using UV-visible and CV and compared to the d. functional theory calculations (B3LYP, TD-DFT). The lowering of the HOMO level is revealed as the determining factor for the trend in the adsorption energies by electronic structure anal. Crystals of substituted subphthalocyanines, N₂-Pc*H₂ and N₄-[Pc*Zn·H₂O], were obtained out of DCM. For the synthesis of the valuable tetramethyltetralin phthalocyanine building block a new highly efficient synthesis involving a nearly quant. Co^II catalyzed aerobic autoxidation step is introduced replacing inefficient KMnO₄/pyridine as the oxidant. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Related Products of 110-03-2

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Liu, E. published 《Design, synthesis and activities of novel tamibarotene analogues containing nitrogen heterocyclic ring》 in 2014. The article was appeared in 《Zhongguo Xinyao Zazhi》. They have made some progress in their research.Recommanded Product: 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

Three novel tamibarotene analogs containing nitrogen heterocyclic ring were designed, synthesized and evaluated. Target compounds were synthesized through 8 steps using 2,5-dimethyl-2,5-hexanediol and di-Et oxalate as starting materials. In vitro antitumor bioactivities against HL-60 cells and NB4 cells were evaluated by a MTT assay method. Their structures were identified by ¹H-NMR, MS and elemental anal. Three compounds had inhibitory effects on HL-60 cells and NB4 cells. To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Recommanded Product: 2,5-Dimethyl-2,5-hexanediol

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Category: alcohols-buliding-blocks《A star-shaped solid composite electrolyte containing multifunctional moieties with enhanced electrochemical properties for all solid-state lithium batteries》 was published in 2018. The authors were Zhang, Jinfang;Ma, Cheng;Hou, Hua;Li, Xiaofeng;Chen, Libao;Ivey, Douglas G.;Wei, Weifeng, and the article was included in《Journal of Membrane Science》. The author mentioned the following in the article:

Limited ionic conduction and poor solid/solid interfacial stability are crucial characteristics that impede the practical application of solid polymeric electrolytes. Herein, a star-shaped solid composite electrolyte (SCE) containing multifunctional components, including anion-trapping boron moieties (B-PEGMA), poly(ethylene glycol)methyl ether methacrylate (PEGMEM) and octavinyl octasilsesquioxane (OV-POSS) nanofiller, was developed via a simple free radical polymerization method. The unique star-shaped structure induced by OV-POSS is beneficial to increasing the movement of polymer chains and forming continuously interconnected ion-conducting channels and the boron moieties can promote lithium salt dissociation and increase the effective transmission of Li⁺ in the electrolyte. This SCE exhibits an extremely high ionic conductivity of 3.44 × 10^-4 S cm^-1 and a high Li ion transference number of 0.58 at 25°C, as well as excellent interfacial compatibility with the Li electrode leading to excellent rate performance and good cyclic stability in all-solid-state Li batteries. To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Category: alcohols-buliding-blocks

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Land, Michael A.;Bacic, Goran;Robertson, Katherine N.;Barry, Sean T. published 《Thermal Stability and Decomposition Pathways in Volatile Molybdenum(VI) Bis-imides》 in 2022. The article was appeared in 《Inorganic Chemistry》. They have made some progress in their research.Electric Literature of C8H18O2 The article mentions the following:

The vapor deposition of many Mo-containing films relies on the delivery of volatile compounds with the general bis(tert-butylimido)molybdenum(VI) framework, both in at. layer deposition and CVD. The authors prepared (^tBuN)₂MoCl₂ adducts using neutral N,N’-chelates and studied their volatility, thermal stability, and decomposition pathways. Volatility was determined by TGA, with the 1,4-di-tert-butyl-1,3-diazabutadiene adduct (5) found to be the most volatile (1 torr of vapor pressure at 135°). Thermal stability was measured primarily using DSC, and the 1,10-phenanthroline adduct (4) is the most stable with an onset of decomposition of 303°. The authors have also studied Mo compounds with other alkyl-substituted imido groups: these compounds all follow a similar decomposition pathway, γ-H activation, with varying reaction barriers. The tert-pentyl, 1-adamantyl, and a cyclic imido (from 2,5-dimethylhexane-2,5-diamine) were systematically studied to probe the kinetics of this pathway. All of these compounds were fully characterized, including via single-crystal x-ray diffraction, and a total of 19 new structures are reported.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Electric Literature of C8H18O2

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Zanella, Delphine;Henket, Monique;Schleich, Florence;Dejong, Thibaut;Louis, Renaud;Focant, Jean-Francois;Stefanuto, Pierre-Hugues published 《Comparison of the effect of chemically and biologically induced inflammation on the volatile metabolite production of lung epithelial cells by GCxGC-TOFMS》 in 2020. The article was appeared in 《Analyst (Cambridge, United Kingdom)》. They have made some progress in their research.Quality Control of 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

Exhaled breath anal. has a high potential for early non-invasive diagnosis of lung inflammatory diseases, such as asthma. The characterization and understanding of the inflammatory metabolic pathways involved into volatile organic compounds (VOCs) production could bring exhaled breath anal. into clin. practice and thus open new therapeutic routes for inflammatory diseases. Lung inflammation was simulated in vitro using A549 epithelial cells. The authors compared the VOC production from A549 epithelial cells after a chem. induced oxidative stress in vitro, exposing the cells to H₂O₂, and a biol. stress, exposing the cells to an inflammatory pool of sputum supernatants. Special attention was devoted to define proper neg. and pos. controls (8 different types) for the authors’ in vitro models, including healthy sputum coculture. Sputum from 25 asthmatic and 8 healthy patients were collected to create each pool of supernatants. Each sample type was analyzed in 4 replicates using solid-phase microextraction (SPME) comprehensive two-dimensional gas chromatog. hyphenated to time-of-flight mass spectrometry (GCxGC-TOFMS). This approach offers high resolving power for complex VOC mixtures According to the type of inflammation induced, significantly different VOCs were produced by the epithelial cells compared to all controls. For both chem. and biol. challenges, an increase of carbonyl compounds (54%) and hydrocarbons (31%) was observed Only the biol. inflammation model showed a significant cell proliferation together with an increased VOC production linked to asthma airway inflammation. This study presents a complete GCxGC-TOFMS workflow for in vitro VOC anal., and its potential to characterize complex lung inflammatory mechanisms. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Quality Control of 2,5-Dimethyl-2,5-hexanediol

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Das, Mitali;Shu, Chi-Min published 《A green approach towards adoption of chemical reaction model on 2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane decomposition by differential isoconversional kinetic analysis》 in 2016. The article was appeared in 《Journal of Hazardous Materials》. They have made some progress in their research.Category: alcohols-buliding-blocks The article mentions the following:

This study studied the thermal degradation products of 2,5-dimethyl-2,5-di-(tert-butylperoxy) hexane (DBPH), by TG/GC/MS to identify runaway reaction and thermal safety parameters. It also included the determination of time to maximum rate under adiabatic conditions (TMR_ad) and self-accelerating decomposition temperature obtained through Advanced Kinetics and Technol. Solutions The apparent activation energy (E_a) was calculated from differential isoconversional kinetic anal. method using DSC experiments The E_a value obtained by Friedman anal. is at 118.0-149.0 kJ mol^-1. The TMR_ad was 24.0 h with an apparent onset temperature of 82.4°. This study also established an efficient benchmark for a thermal hazard assessment of DBPH that can be applied to assure safer storage conditions.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Category: alcohols-buliding-blocks

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