Tag: 300-400

Mohamed, Mohamed Gamal; Liu, Ni-Yun; El-Mahdy, Ahmed A. F.; Kuo, Shiao-Wei published an article in 2021. The article was titled 《Ultrastable luminescent hybrid microporous polymers based on polyhedral oligomeric silsesquioxane for CO2 uptake and metal ion sensing》, and you may find the article in Microporous and Mesoporous Materials.Safety of 9,10-Dibromoanthracene The information in the text is summarized as follows:

In this study we prepared four different fluorescent hybrid microporous polymers (HPPs) derived from cubic octavinylsilsesquioxane (OVS) through Heck coupling with brominated anthracene (An-Br2), triphenyltriazine (TPT-Br3), bicarbazole (Car-Br4) and tetraphenylethene (TPE-Br4). The chem. structures of these HPPs were confirmed using Fourier transform IR spectroscopy and solid-state NMR spectroscopy. Thermogravimetric anal. and N2 adsorption/desorption measurements revealed that each of these HPPs had outstanding thermal stability, a high surface area, and inherent porosity. The CO2 uptakes of TPT-HPP and Car-HPP at 273 and 298 K were higher than those of An-HPP and TPE-HPP. Furthermore, the luminescence of these HPPs could be quenched completely upon the addition of Fe2+, and Fe3+ metal cations. Thus, these HPP materials appear to be good candidates for CO2 adsorption and metal ion sensing. The experimental part of the paper was very detailed, including the reaction process of 9,10-Dibromoanthracene(cas: 523-27-3Safety of 9,10-Dibromoanthracene)

9,10-Dibromoanthracene(cas: 523-27-3) is a dibrominated polycyclic aromatic hydrocarbon (PAH). 9,10-Dibromoanthracene is often used as an energy acceptor and activator in reactions that produce chemiluminescence.Safety of 9,10-Dibromoanthracene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Molecular Diffusion in a Flexible Mesoporous Metal-Organic Framework over the Course of Structural Contraction》 was written by Walenszus, Francesco; Bon, Volodymyr; Evans, Jack D.; Kaskel, Stefan; Dvoyashkin, Muslim. SDS of cas: 6825-20-3 And the article was included in Journal of Physical Chemistry Letters in 2020. The article conveys some information:

In situ 1H pulsed field gradient (PFG) NMR was used to investigate the mol. diffusion of n-butane in the pores of the flexible metal-organic framework DUT-49(Cu) at 298 K at different pore loadings, including pressure ranges below and above the neg. gas adsorption (NGA) transition caused by structural contraction of the material. Supported by mol. dynamics simulations, the investigation provided crucial insight into confined diffusion within a highly flexible pore environment. The self-diffusion coefficients were derived from the experiment and compared with simulations, capturing the diffusion during n-butane adsorption and desorption. This complementary approach has yielded exptl. characterization of mol. diffusion mechanisms during the unique process of NGA. This includes the observation of a 4-fold decrease of diffusivity within a less than 2 kPa gas pressure variation, corresponding to the NGA transition point. In addition to this study using 3,6-Dibromo-9H-carbazole, there are many other studies that have used 3,6-Dibromo-9H-carbazole(cas: 6825-20-3SDS of cas: 6825-20-3) was used in this study.

3,6-Dibromo-9H-carbazole(cas: 6825-20-3) is used as a pharmaceutical intermediate, and also an important intermediate of synthesizing optoelectronic materials. It has been used as a reagent in the synthesis of P7C3-A20 which is a potent neuroprotective agent.SDS of cas: 6825-20-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Prediction of Electrical Conductivity of Deep Eutectic Solvents Using COSMO-RS Sigma Profiles as Molecular Descriptors: A Quantitative Structure-Property Relationship Study》 was written by Lemaoui, Tarek; Darwish, Ahmad S.; Hammoudi, Nour El Houda; Abu Hatab, Farah; Attoui, Ayoub; Alnashef, Inas M.; Benguerba, Yacine. SDS of cas: 1779-49-3 And the article was included in Industrial & Engineering Chemistry Research in 2020. The article conveys some information:

This work presents the development of mol.-based math. models for the prediction of elec. conductivity of deep eutectic solvents (DESs). Two new quant. structure-property relation (QSPR) models based on conductor-like screening model for real solvent (COSMO-RS) mol. charge d. distributions (Sσ-profiles) were developed using the data obtained from the literature. The data comprise 236 exptl. elec. conductivity measurements for 21 ammonium- and phosphonium-based DESs, covering a wide range of temperatures and molar ratios. First, the hydrogen-bond acceptors (HBAs) and hydrogen-bond donors (HBDs) of each DES were successfully modeled using COSMO-RS. Then, the calculated Sσ-profiles were used as mol. descriptors. The relation between the conductivity and the descriptors in both models was expressed via multiple linear regression. The first model accounted for the structure of the HBA, the HBD, the molar ratio, and temperature, whereas the second model addnl. incorporated the interactions between the mol. descriptors. By accounting for the interactions, the regression coefficient (R2) of the predictive model can be increased from 0.801 to 0.985. Addnl., the scope and reliability of the models were further assessed using the applicability domain anal. The findings showed that QSPR models based on Sσ-profiles as mol. descriptors are excellent at describing the properties of DESs. Accordingly, the obtained model in this work can be used as a useful guideline in selecting DESs with the desired elec. conductivity for industrial applications.Methyltriphenylphosphonium bromide(cas: 1779-49-3SDS of cas: 1779-49-3) was used in this study.

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.SDS of cas: 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Liquid-Liquid Equilibrium Measurements for the Extraction of Pyridine and Benzothiazole from n-Alkanes Using Deep Eutectic Solvents》 were Warrag, Samah E. E.; Alli, Ruth D.; Kroon, Maaike C.. And the article was published in Journal of Chemical & Engineering Data in 2019. COA of Formula: C19H18BrP The author mentioned the following in the article:

The liquid-liquid extraction of a nitrogen-containing aromatic “”pyridine”” and nitrogen/sulfur-containing aromatic “”benzothiazole”” from n-hexane and n-heptane using deep eutectic solvents (DESs) was studied in this work. A DES composed of methyltriphenylphosphonium bromide as hydrogen bond acceptor and ethylene glycol as hydrogen bond donor was selected for this separation The main objective of this work was to assess whether the same DES can be applied for the denitrogenation “”extraction of pyridine”” and desulfurization “”extraction of benzothiazole”” of fuels. Moreover, the influence of n-alkane chain length on the extraction performance was studied. First, the solubilities of the pyridine, benzothiazole, n-hexane, and n-heptane in the DES were determined at 298.2 K and 1.01 bar. Thereafter, the pseudoternary liquid-liquid equilibrium (LLE) data for the four systems {n-hexane + pyridine + DES}, {n-heptane + pyridine + DES}, {n-hexane + benzothiazole + DES}, and {n-heptane + benzothiazole + DES} were determined at a temperature of 298.2 K and a pressure of 1.01 bar. The assumption of a pseudoternary system was validated showing that none of the DES’ constituents appears in the raffinate phase. From the LLE data the distribution ratios and selectivites of pyridine and benzothiazole were calculated Both pyridine and benzothiazole were successfully extracted from their mixtures with n-hexane and n-heptane, with pyridine showing higher selectivity than benzothiazole and almost similar distribution ratios. Finally, The LLE data were correlated with the nonrandom two-liquid model using ASPEN PLUS. The modeled results showed a strong correlation with the exptl. results (relative mean standard deviation (%)) = 0.04-0.36. After reading the article, we found that the author used Methyltriphenylphosphonium bromide(cas: 1779-49-3COA of Formula: C19H18BrP)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.COA of Formula: C19H18BrP

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Maezono, Shizuka Mei Bautista; Park, Ga Eul; Lee, Yong Rok published 《Regiospecific construction of diverse and polyfunctionalized γ-pyrone cores by indium(III)-catalyzed annulation of diazodicarbonyls with active methylenes, 4-hydroxycoumarins, or 4-hydroxyquinolinone》.Organic Chemistry Frontiers published the findings.Synthetic Route of Br3In The information in the text is summarized as follows:

An efficient and novel construction of diverse and polyfunctionalized γ-pyrones has been developed by InBr3-catalyzed annulation of various cyclic and acyclic diazo compounds with multifarious active methylenes, 4-hydroxycoumarins, or 4-hydroxyquinolinone. This technique proceeds through a cascade of carbene generation/ketene formation/conjugate addition/intramol. cyclization/elimination reactions. In addition, transformation of the synthesized compound for further functionalization is realized.Indium(III) bromide(cas: 13465-09-3Synthetic Route of Br3In) was used in this study.

Indium(III) bromide(cas: 13465-09-3) is used in organic synthesis as a water tolerant Lewis acid. It efficiently catalyzes the three-component coupling of β-keto esters, aldehydes and urea (or thiourea) to afford the corresponding dihydropyrimidinones.Synthetic Route of Br3In

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Category: bromides-buliding-blocksIn 2021 ,《Three-State Switching of an Anthracene Extended Bis-thiaxanthylidene with a Highly Stable Diradical State》 was published in Journal of the American Chemical Society. The article was written by Wonink, Marco B. S.; Corbet, Brian P.; Kulago, Artem A.; Boursalian, Gregory B.; de Bruin, Bas; Otten, Edwin; Browne, Wesley R.; Feringa, Ben L.. The article contains the following contents:

A multistable mol. switching system based on an anthracene-extended bis-thiaxanthylidene with three individually addressable states that can be interconverted by electrochem., thermal, and photochem. reactions is reported. Besides reversible switching between an open-shell diradical- and a closed-shell electronic configuration, our findings include a third dicationic state and control by multiple actuators. This dicationic state with an orthogonal conformation can be switched electrochem. with the neutral open-shell triplet state with orthogonal conformation, which was characterized by EPR. The remarkably stable diradical shows kinetic stability as a result of a significant activation barrier for isomerization to a more stable neutral closed-shell folded geometry. We ascribe this activation barrier of ΔG(293 K) = 25.7 kcal mol-1 to steric hindrance in the fjord region of the overcrowded alkene structure. The folded closed-shell state can be converted back to the diradical state by irradiation with 385 nm. The folded state can also be oxidized to the dicationic state. These types of mols. with multiple switchable states and in particular stable diradicals show great potential in the design of new functional materials such as memory devices, logic gates, and OFETs. In the experiment, the researchers used many compounds, for example, 9,10-Dibromoanthracene(cas: 523-27-3Category: bromides-buliding-blocks)

9,10-Dibromoanthracene(cas: 523-27-3) is a dibrominated polycyclic aromatic hydrocarbon (PAH). 9,10-Dibromoanthracene is often used as an energy acceptor and activator in reactions that produce chemiluminescence.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Swart, Marthinus R.; Twigge, Linette; Erasmus, Elizabeth; Marais, Charlene; Bezuidenhoudt, Barend C. B. published an article in 2021. The article was titled 《Olefin Metathesis, p-Cresol, and the Second Generation Grubbs Catalyst: Fitting the Pieces》, and you may find the article in European Journal of Inorganic Chemistry.Name: Ethyltriphenylphosphonium bromide The information in the text is summarized as follows:

P-Cresol as additive to the Grubbs second generation catalyst (GII) allows the cross-metathesis of acrylates with prop-1-en-1-ylbenzenes under conditions that only give the prop-1-en-1-ylbenzene self-metathesis product in the absence of cresol. NMR and IR spectroscopy, MALDI-TOF MS and XPS supported the formation of a ruthenium benzylidene with hydrogen bonds between p-cresol and the chloride ligands of GII. XPS furthermore confirmed p-cresol to increase the binding energies of the GII Ru 3d5/2, 3d3/2, 3p3/2 and 3p1/2 photoelectron lines, whereas 1H NMR spectroscopy indicated the carbene carbon and hydrogen to be shielded. It is thus postulated that p-cresol allows for more facile interaction between electron-deficient compounds and the ruthenium benzylidene by decreasing the electron d. on the metal center and increasing the electron d. on the carbene. Safety: toxic thallium compounds In the part of experimental materials, we found many familiar compounds, such as Ethyltriphenylphosphonium bromide(cas: 1530-32-1Name: Ethyltriphenylphosphonium bromide)

Ethyltriphenylphosphonium bromide(cas: 1530-32-1) is a phase transfer catalyst, used to accelerate the cure of phenolic-based epoxy resins, certain fluoroelastomer resins and thermosetting powder coatings. CatOnium ETPB is also used as catalysts in the synthesis of certain organic compounds.Name: Ethyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tian, Lei; Li, Jian; He, Mei published an article in 2021. The article was titled 《Synthesis of deuterium labeled ezetimibe and its glucuronide conjugate》, and you may find the article in Journal of Radioanalytical and Nuclear Chemistry.Computed Properties of C13H17BrO9 The information in the text is summarized as follows:

Ezetimibe is an effective cholesterol absorption inhibitor approved for the combined treatment with statins to reduce LDL-C level. Ezetimibe labeled with deuterium was applied for drug metabolism studies. [2H5] fluorobenzene was applied to preprare [2H4] ezetimibe. Stable isotope labeled ezetimibe was obtained in seven steps with a 29.3% overall yield. Stable isotope labeled glucuronide-ezetimibe, the most abundant metabolite of ezetimibe was also synthesized. In the experiment, the researchers used many compounds, for example, (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate(cas: 21085-72-3Computed Properties of C13H17BrO9)

(2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate(cas: 21085-72-3) may be used for the synthesis of HMR1098-S-Glucuronide Methyl Ester, a new K-ATP-blocking agent being developed as a drug for prevention of sudden cardiac death.Computed Properties of C13H17BrO9

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fiankor, Christian; Nyakuchena, James; Khoo, Rebecca Shu Hui; Zhang, Xu; Hu, Yuchen; Yang, Sizhuo; Huang, Jier; Zhang, Jian published their research in Journal of the American Chemical Society in 2021. The article was titled 《Symmetry-Guided Synthesis of N,N′-Bicarbazole and Porphyrin-Based Mixed-Ligand Metal-Organic Frameworks: Light Harvesting and Energy Transfer》.COA of Formula: C12H7Br2N The article contains the following contents:

In the past decades, many attempts have been made to mimic the energy transfer (EnT) in photosynthesis, a key process occurring in nature that is of fundamental significance in solar fuels and sustainable energy. Metal-organic frameworks (MOFs), an emerging class of porous crystalline materials self-assembled from organic linkers and metal or metal cluster nodes, offer an ideal platform for the exploration of directional EnT phenomena. However, placing energy donor and acceptor moieties within the same framework with an atomistic precision appears to be a major synthesis challenge. In this work, we report the design and synthesis of a highly porous and photoactive N,N′-bicarbazole- and porphyrin-based mixed-ligand MOF, namely, NPF-500-H2TCPP (NPF = Nebraska porous framework; H2TCPP = meso-tetrakis(4-carboxyphenyl)porphyrin), where the secondary ligand H2TCPP is incorporated precisely through the open metal sites of the equatorial plane of the octahedron cage resulting from the underlying (4,8) connected network of NPF-500. The efficient EnT process from N,N′-bicarbazole to porphyrin in NPF-500-H2TCPP was captured by time-resolved spectroscopy and exemplified by photocatalytic oxidation of thioanisole. These results demonstrate not only the capability of NPF-500 as the scaffold to precisely arrange the donor-acceptor assembly for the EnT process but also the potential to directly utilize the EnT process for photocatalytic applications.3,6-Dibromo-9H-carbazole(cas: 6825-20-3COA of Formula: C12H7Br2N) was used in this study.

3,6-Dibromo-9H-carbazole(cas: 6825-20-3) is used as a reagent in the synthesis of P7C3-A20 which is a potent neuroprotective agent. And it has been used in the preparation of N-(2-hydroxyethyl)-3,6-dibromocarbazole.COA of Formula: C12H7Br2N

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Swarbrick, Crystall; Zogali, Vasiliki; Chan, Kitti Wing Ki; Kiousis, Dimitrios; Gwee, Chin Piaw; Wang, Sai; Lescar, Julien; Luo, Dahai; von Itzstein, Mark; Matsoukas, Minos-Timotheos; Panagiotakopoulos, George; Vasudevan, Subhash G.; Rassias, Gerasimos published their research in European Journal of Medicinal Chemistry in 2021. The article was titled 《Amidoxime prodrugs convert to potent cell-active multimodal inhibitors of the dengue virus protease》.Reference of 3,6-Dibromo-9H-carbazole The article contains the following contents:

The flavivirus genus of the Flaviviridae family comprises Dengue, Zika and West-Nile viruses which constitute unmet medical needs as neither appropriate antivirals nor safe vaccines are available. The dengue NS2BNS3 protease is one of the most promising validated targets for developing a dengue treatment however reported protease inhibitors suffer from toxicity and cellular inefficacy. Here we report SAR on our previously reported Zika-active carbazole scaffold, culminating in prodrug compound SP-471P (EC50 1.10μM, CC50 > 100μM) that generates SP-471 (I → II); one of the most potent, non-cytotoxic and cell-active protease inhibitors described in the dengue literature. In cell-based assays, SP-471P leads to inhibition of viral RNA replication and complete abolishment of infective viral particle production even when administered 6 h post-infection. Mechanistically, SP-471 appears to inhibit both normal intermol. protease processes and intramol. cleavage events at the NS2BNS3 junction, as well as at NS3 internal sites, all critical for virus replication. These render SP-471 a unique to date multimodal inhibitor of the dengue protease. The results came from multiple reactions, including the reaction of 3,6-Dibromo-9H-carbazole(cas: 6825-20-3Reference of 3,6-Dibromo-9H-carbazole)

3,6-Dibromo-9H-carbazole(cas: 6825-20-3) is used as a reagent in the synthesis of P7C3-A20 which is a potent neuroprotective agent. And it has been used in the preparation of N-(2-hydroxyethyl)-3,6-dibromocarbazole.Reference of 3,6-Dibromo-9H-carbazole

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary