Month: October 2022

HPLC of Formula: 174501-65-6In 2021 ,《Surface charge density in electrical double layer capacitors with nanoscale cathode-anode separation》 was published in Journal of Physical Chemistry B. The article was written by Qing, Leying; Zhao, Shuangliang; Wang, Zhen-Gang. The article contains the following contents:

Using a dynamic d. functional theory, we study the charging dynamics, the final equilibrium structure, and the energy storage in an elec. double layer capacitor with nanoscale cathode-anode separation in a slit geometry. We derive a simple expression for the surface charge d. that naturally separates the effects of the charge polarization due to the ions from those due to the polarization of the dielec. medium and allows a more intuitive understanding of how the ion distribution within the cell affects the surface charge d. We find that charge neutrality in the half-cell does not hold during the dynamic charging process for any cathode-anode separation, and also does not hold at the final equilibrium state for small separations Therefore, the charge accumulation in the half-cell in general does not equal the surface charge d. The relationships between the surface charge d. and the charge accumulation within the half-cell are systematically investigated by tuning the electrolyte concentration, cathode-anode separation, and applied voltage. For high electrolyte concentrations, we observe charge inversion at which the charge accumulation exceeds the surface charge at special values of the separation In addition, we find that the energy d. has a maximum at intermediate electrolyte concentrations for a high applied voltage. The experimental process involved the reaction of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6HPLC of Formula: 174501-65-6)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. HPLC of Formula: 174501-65-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《[1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration》 was written by Tresadern, Gary; Velter, Ingrid; Trabanco, Andres A.; Van den Keybus, Frans; Macdonald, Gregor J.; Somers, Marijke V. F.; Vanhoof, Greet; Leonard, Philip M.; Lamers, Marieke B. A. C.; Van Roosbroeck, Yves E. M.; Buijnsters, Peter J. J. A.. Formula: C3H5N3This research focused ontriazolopyrimidine preparation selective PDE2A inhibitor; structure triazolopyrimidine inhibition phosphodiesterase selectivity; pharmacokinetics CYP inhibition BBB permeability triazolopyrimidine; free energy perturbation optimization triazolopyrimidine substituent phosphodiesterase inhibitor; crystal structure triazolopyrimidine complex phosphodiesterase 2A. The article conveys some information:

We describe the hit-to-lead exploration of a [1,2,4]triazolo[1,5-a]pyrimidine phosphodiesterase 2A (PDE2A) inhibitor arising from high-throughput screening. X-ray crystallog. enabled structure-guided design, leading to the identification of preferred substructural components. Further rounds of optimization used relative binding free-energy calculations to prioritize different substituents from the large accessible chem. space. The free-energy perturbation (FEP) calculations were performed for 265 putative PDE2A inhibitors, and 100 compounds were synthesized representing a relatively large prospective application providing unexpectedly active mols. with IC50’s from 2340 to 0.89 nM. Lead compound 46 originating from the FEP calculations showed PDE2A inhibition IC50 of 1.3 ± 0.39 nM, ~100-fold selectivity vs. other PDE enzymes, clean cytochrome P 450 profile, in vivo target occupancy, and promise for further lead optimization. After reading the article, we found that the author used 1H-Imidazol-2-amine(cas: 7720-39-0Formula: C3H5N3)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.Formula: C3H5N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Construction of coordination polymers based on tetrabromoterephthalic acid and different nitrogen-containing ligands》 was written by Jiao, Shaoshao; Zhang, Yaowen; Liu, Kang; Deng, Liming; Zhang, Xinghao; Wang, Lei. HPLC of Formula: 934-32-7This research focused ontransition metal tetrabromoterephthalate dimethylbipyridine benzoimidazolamine benzoimidazole imidazole complex preparation; crystal structure transition metal tetrabromoterephthalate dimethylbipyridine benzoimidazolamine imidazole complex. The article conveys some information:

Four coordination polymers (CPs) based on H2tbta ligand, namely, [Zn(tbta)(bmbp)]n (1), {[Cd0.5(tbta)(H2O)]n·(Hbia) (H2O)} (2), [Cu1.5(tbta)(OH)(bi)(H2O)]n (3) and [Cd(tbta)(ei)2]n (4) were synthesized and characterized (H2tbta = 2,3,5,6-tetrabromoterephthalic acid, bmbp = 4,4′-dimethyl-2,2′-bipyridine, bia = 1H-benzo[d]imidazol-2-amine, bi = 1H-benzo[d]imidazole, ei = 2-ethyl-1H-imidazole). Single-crystal x-ray diffraction analyses illustrate 1 and 4 exhibit 1-dimensional chains, and compound 1 and 4 are hydrogen-bonded into a 2-dimensional layer to form a 3-dimensional supramol. structure. Compounds 2 and 3 show 2-dimensional layered structures and further expand to 3-dimensional supramol. structures through hydrogen bonds. Structural comparisons indicate that the position of coordination sites and substituent groups plays a crucial role in the control of the final structures. Besides, the photoluminescence properties of compounds 1, 2, 4 and UV-visible spectra of 3 were studied in the solid state at room temperature In the experiment, the researchers used 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7HPLC of Formula: 934-32-7)

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.HPLC of Formula: 934-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Thiolate Bridged Gold(I)-NHC Catalysts: New Approach for Catalyst Design and its Application to Trapping Catalytic Intermediates》 was published in Chemistry – A European Journal in 2019. These research results belong to Visbal, Renso; Herrera, Raquel P.; Gimeno, M. Concepcion. Category: imidazoles-derivatives The article mentions the following:

New dinuclear N-heterocyclic carbene gold complexes [[(NHC)Au]2(μ-SC6F5)][OTf] (5-8; NHC = IPr, SIPr, IMes, SIMes) with bridging thiolate ligands have been designed as catalytic precursors with desired properties such as stability, recyclability and that do not require additives. The dinuclear compounds 5-8 could slowly release the active catalytic species [Au(NHC)]+ and the precursor [Au(SC6F5)(NHC)] in solution, which means that both species would remain stable throughout the catalytic cycle and the pre-catalyst could easily be recovered. The properties exhibited by the complexes have been taken advantage of to gain new insights on the gold-catalyzed hydroalkoxylation of alkynes, with the aim of clarifying all the steps of the catalytic cycle, together with the characterization of intermediates and final products. Isolation and characterization of the pure final spiroketals and the thermodn. intermediate have been achieved for the first time. Moreover, the kinetic intermediate has also been detected for the first time. In the experimental materials used by the author, we found Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)(cas: 852445-84-2Category: imidazoles-derivatives)

Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)(cas: 852445-84-2) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. Category: imidazoles-derivatives In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: 372147-50-7On October 5, 2001 ,《Heterocyclization of Functionalized Vinylic Derivatives of Imidazo[1,2-a]pyridines》 was published in Journal of Organic Chemistry. The article was written by Chezal, Jean M.; Moreau, Emmanuel; Delmas, Gregory; Gueiffier, Alain; Blache, Yves; Grassy, Gerard; Lartigue, Claire; Chavignon, Olivier; Teulade, Jean C.. The article contains the following contents:

Heterocyclization of functionalized vinylic derivatives of imidazo[1,2-a]pyridines was explored exptl. and theor. using semiempirical AM1 and ab initio methods. A range of functionalized vinylic derivatives (azido, amino, and carbodiimide groups) were prepared for conversion into pyrroloazaindoles, imidazo[1,x]-, (x = 5, 6, 7, 8), [2,6]-, and [2,7]naphthyridines by thermal reaction. In the case of vinylic groups in the 5 position, peri annulation also was observed The exptl. and theor. data are compared and discussed. The results came from multiple reactions, including the reaction of Imidazo[1,2-a]pyridine-5-carbaldehyde(cas: 372147-50-7Recommanded Product: 372147-50-7)

Imidazo[1,2-a]pyridine-5-carbaldehyde(cas: 372147-50-7) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. Recommanded Product: 372147-50-7 In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Product Details of 866926-59-2On October 14, 2005 ,《Room-Temperature Negishi Cross-Coupling of Unactivated Alkyl Bromides with Alkyl Organozinc Reagents Utilizing a Pd/N-Heterocyclic Carbene Catalyst》 was published in Journal of Organic Chemistry. The article was written by Hadei, Niloufar; Kantchev, Eric Assen B.; O’Brien, Christopher J.; Organ, Michael G.. The article contains the following contents:

A high-yielding cross-coupling reaction of unactivated alkyl bromides possessing β-hydrogens with alkylzinc halides utilizing a Pd/N-heterocyclic carbene (NHC) catalyst at room temperature is described. A variety of Pd sources, Pd2(dba)3, Pd(OAc)2, or PdBr2, with the com. available ligand precursor 1,3-bis(2,6-diisopropylphenyl)imidazolium chloride successfully coupled 1-bromo-3-phenylpropane with n-butylzinc bromide in THF/NMP. An investigation of different NHC precursors showed that the bulky 2,6-diisopropylphenyl moiety was necessary to achieve high coupling yields (75-85%). The corresponding Et analog was moderately active (11%). A range of unsym. NHC precursors were prepared and evaluated. The ligand precursor containing one 2,6-diisopropylphenyl and one 2,6-diethylphenyl afforded the coupling product in 47% yield, clearly suggesting a direct relationship between the steric topog. created by the flanking N-substituents and catalyst activity. Under optimal conditions, a number of alkyl bromides and alkylzinc halides possessing common functional groups (amide, nitrile, ester, acetal, and alkyne) were effectively coupled (61-92%). It is noteworthy that β-substituted alkyl bromides and alkylzinc halides successfully underwent cross-coupling. Also, under these conditions alkyl chlorides were unaffected. In the part of experimental materials, we found many familiar compounds, such as 1-(2,6-Diisopropylphenyl)-3-mesityl-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 866926-59-2Product Details of 866926-59-2)

1-(2,6-Diisopropylphenyl)-3-mesityl-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 866926-59-2) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies. Product Details of 866926-59-2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2010,Chemistry – A European Journal included an article by Smejkal, Tomas; Gribkov, Denis; Geier, Jens; Keller, Manfred; Breit, Bernhard. Formula: C6H10N2O2S. The article was titled 《Transition-State Stabilization by a Secondary Substrate-Ligand Interaction: A New Design Principle for Highly Efficient Transition-Metal Catalysis》. The information in the text is summarized as follows:

A library of monodentate phosphane ligands, each bearing a guanidine receptor unit for carboxylates, was designed. Screening of the library gave some excellent catalysts for regioselective hydroformylation of β,γ-unsaturated carboxylic acids. A terminal alkene, but-3-enoic acid, was hydroformylated with a linear/branched (l/b) regioselectivity up to 41. An internal alkene, pent-3-enoic acid was hydroformylated with regioselectivity up to 18:1. Further substrate selectivity (e.g., acid vs. Me ester) and reaction site selectivity (monofunctionalization of 2-vinylhept-2-enoic acid) were also achieved. Exploration of the structure-activity relationship and a practical and theor. mechanistic study gave us an insight into the nature of the supramol. guanidinium-carboxylate interaction within the catalytic system. This allowed us to identify a selective transition-state stabilization by a secondary substrate-ligand interaction as the basis for catalyst activity and selectivity. The results came from multiple reactions, including the reaction of Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate(cas: 60546-77-2Formula: C6H10N2O2S)

Methyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate(cas: 60546-77-2) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies. Formula: C6H10N2O2S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Nanda, Tanmayee; Biswal, Pragati; Pati, Bedadyuti Vedvyas; Banjare, Shyam Kumar; Ravikumar, Ponneri Chandrababu published an article on February 5 ,2021. The article was titled 《Palladium-Catalyzed C-C Bond Activation of Cyclopropenone: Modular Access to Trisubstituted α,β-Unsaturated Esters and Amides》, and you may find the article in Journal of Organic Chemistry.Safety of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride The information in the text is summarized as follows:

Strain-driven palladium/N-heterocyclic carbene-catalyzed C-C bond activation of diphenylcyclopropenone (DPC) was explored for one-step access to trisubstituted α,β-unsaturated esters and amides. The designed transformation worked under mild conditions providing exclusively a single stereoisomer. Mechanistic studies support the oxidative addition of the C-C bond of cyclopropenone to in-situ-generated Pd(0) intermediate. Vinylic hydrogen in the product was proved that it is coming from phenol/aniline through deuterium-labeling studies. Late-stage functionalization of bioactive mols. such as procaine, estrone, and hymecromone demonstrated the robustness of this protocol. In the part of experimental materials, we found many familiar compounds, such as 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0Safety of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride)

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0) has been employed in an efficient, one-pot synthesis of N-heterocyclic carbene-allylpalladium complexes.Safety of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chlorideIn addition, it can efficiently catalyze the Suzuki-Miyaura coupling of aryl chlorides with aryl boronic acids.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2014,D’Auria, Maurizio published 《A New Index for the Estimation of the Aromatic Character – IV》.Letters in Organic Chemistry published the findings.Safety of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

The new aromaticity index based on the energy of π orbitals D = {[π1 +Σ2n (π1 – πn )]0 /[π1 +Σ2n (π1 – πn)]} × a , where n are the number of occupied π-orbitals and a is the number of cycles in the mol., was used in the calculation of the aromatic character of substituted pentaat. heterocyclic compounds Calculations have been performed on aromatic and heteroaromatic compounds by using DFT method at B3LYP/6-311+G(d,p) level. The D values were compared with those obtained performing the calculation of Aromatic Stabilization Energy (ASE) and Isomerization Stabilization Energy (ISE) of the same compounds In all the cases, a good correlation has been found. In the experiment, the researchers used 2-Bromo-1H-imidazole(cas: 16681-56-4Safety of 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Safety of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta published 《Iridium-NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple》.Catalysis Science & Technology published the findings.Application In Synthesis of 2-Chloro-1H-benzo[d]imidazole The information in the text is summarized as follows:

A hybrid N-heterocyclic carbene (NHC) ligand-based iridium catalyst system has been demonstrated in ambient-pressure CO2-hydrogenation and low-temperature HCO2H-dehydrogenation processes. High catalytic activity with TOF values of up to 58 h-1 at 30 °C and 1 atm pressure for hydrogenation and up to 100 000 h-1 at 90 °C for dehydrogenation has been achieved with this promising catalyst. The newly-introduced strategy of using an imidazolylidene-based strongly sigma-donating abnormal NHC ligand partnering with a proton-responsive ligand framework within the catalyst suggested a key guideline in this chem. involving dual activity toward chem. hydrogen storage/delivery processes. In the experimental materials used by the author, we found 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Application In Synthesis of 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) is an analog of benzimidazole that has been synthesized by Langmuir adsorption isotherm. It is a white crystalline solid that can be dissolved in water and hydrochloric acid. 2-Chloro-1H-benzo[d]imidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase, which catalyzes the conversion of thymine to thymidine.Application In Synthesis of 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem