Author: Jessica.F

Manganese catalyzed enantio- and regioselective hydrogenation of α,β-unsaturated ketones using an imidazole-based chiral PNN tridentate ligand was written by Wang, Ze;Zhao, Xianghua;Huang, An;Yang, Zehui;Cheng, Yuqi;Chen, Jiachen;Ling, Fei;Zhong, Weihui. And the article was included in Tetrahedron Letters in 2021.Product Details of 85692-37-1 This article mentions the following:

The enantioselective 1,2-reduction of α,β-unsaturated ketones has been achieved using a chiral pincer Mn catalyst. A series of PNN tridentate ligands containing benzimidazole groups were designed with ferrocene as the backbone, which coordinated with Mn to form the active catalyst. This mild process represents a general method to access chiral allyl alcs. with high catalytic activity (up to 9500 TON) and high enantioselectivity (66-86% ee). Furthermore, this catalytic system provides a novel synthesis of key pharmaceutical intermediates of cannabidiol. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Product Details of 85692-37-1).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Product Details of 85692-37-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis, crystal structure and vibrational properties of N-(8-(3-(3-(tert-butyl)ureido)phenyl)imidazo[1,2-a]pyridin-6-yl)acetamide was written by Chen, Dongmei;Chen, Yumei;Wu, Qingmei;Zhang, Xiaohan;Liao, Weike;Zhou, Zhixu. And the article was included in Journal of Molecular Structure in 2021.Reference of 25045-82-3 This article mentions the following:

In this study, the title compound I was designed and synthesized from the coupling reaction of N-(8-iodoimidazo[1,2-a]pyridin-6-yl)acetamide and 1-(tert-butyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea. The crystals of the title compound I were obtained by solvent evaporation at room temperature The structure of title compound I was demonstrated by ¹H NMR, ¹³C NMR, FT-IR and single crystal X-ray diffraction studies. Addnl., theor. calculations, based on the d. functional method B3LYP at the 6-311+G(d, p) level, were performed on the title compound I, and the mol. structure optimized using DFT was consistent with the results obtained using X-ray diffraction. In addition, hydrogen bonding, intramol. π-π stacking and the Van der Waals forces significantly stabilized the title compound I, as shown in the packing diagram. Moreover, the vibrations of the title compound I were reliably assigned on the basis of characteristic vibrational absorption bands. Finally, frontier MO (FMO) was employed to verify the charge transfer interaction involving the electron acceptor and electron donor groups. In the experiment, the researchers used many compounds, for example, 6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3Reference of 25045-82-3).

6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Reference of 25045-82-3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Determining the composition of the vacuum-liquid interface in ionic-liquid mixtures was written by Smoll, E. J. Jr.;Tesa-Serrate, M. A.;Purcell, S. M.;D’Andrea, L.;Bruce, D. W.;Slattery, J. M.;Costen, M. L.;Minton, T. K.;McKendrick, K. G.. And the article was included in Faraday Discussions in 2018.Application In Synthesis of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide This article mentions the following:

The vacuum-liquid interfaces of a number of ionic-liquid mixtures have been investigated using the combination of reactive-atom scattering with laser-induced fluorescence detection (RAS-LIF), selected surface tension measurements, and mol. dynamics (MD) simulations. The mixtures are based on the widespread 1-alkyl-3-methylimidazolium ([C_nmim]⁺) cation, including mixed cations which differ in chain length or chem. functionality with a common anion; and different anions for a common cation. RAS-LIF results imply that the surface compositions exhibit a general form of non-stoichiometric behavior that mimics the well-known Henry’s and Raoult’s laws at low and high mole fraction, resp. The extended Langmuir model provides a moderately good single-parameter fit, but higher-order terms are required for an accurate description. The quant. relationship between RAS-LIF and surface tension, which probes the surface composition only indirectly, is explored for mixtures of [C₂mim]⁺ and [C₁₂mim]⁺ with a common bis(trifluoromethylsulfonyl)imide ([NTf₂]^–) anion. Extended Langmuir model fits to surface tension data are broadly consistent with those to RAS-LIF; however, several other common approaches to extracting surface compositions from measured surface tensions result in much larger discrepancies. MD simulations suggest that RAS-LIF faithfully reports on the alkyl-chain exposure at the surface, which is only subtly modified by composition-dependent structural reorganisation. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Application In Synthesis of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Application In Synthesis of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Measurement and PC-SAFT modelling of three-phase behaviour was written by Rodriguez-Palmeiro, Iago;Rodriguez, Oscar;Soto, Ana;Held, Christoph. And the article was included in Physical Chemistry Chemical Physics in 2015.Related Products of 404001-48-5 This article mentions the following:

Modeling of multi-component systems with complex interactions is an ongoing challenge in thermodn. due to their great relevance in industry and academia. Systems that build three liquid phases are found in many interesting applications (separation processes, triphasic catalysis…). Among them, the surfactant flooding method for enhanced oil recovery is noticeable. In this method, a stable solution of water, surfactants, co-surfactants, salts and other components is injected into the reservoir. The optimal formulation of this surfactant system is associated with a three-phase behavior in which the interfacial tension becomes significantly low. In this work, the PC-SAFT equation of state was used for the first time to predict the equilibrium involved in triphasic systems using solely pure-component parameters. The model without any fitting parameter was able to predict the three-phase behavior. A great agreement between exptl. and predicted compositions for (water + [C₁₀mim][NTf₂] + n-dodecane) and (water + [C₁₂mim][NTf₂] + n-dodecane) ternary systems at 298.15 K and atm. pressure was found. At 348.15 K slightly higher deviations were found, which can be compensated by the introduction of just one binary interaction parameter. The success of this achievement could mean an important advancement in upstream oil operations, enabling a faster and cheaper method to carry out an initial screening of potential surfactants. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Related Products of 404001-48-5).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Related Products of 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Facile fabrication of Sc-BiOBr photocatalyst immobilized on palm bark with enhanced visible light photocatalytic performance for estradiol degradation was written by Yang, Qiuping;Zhai, Yubo;Xu, Ting;Zhao, Kexian;Li, Huizhi. And the article was included in Journal of Physics and Chemistry of Solids in 2019.Application of 35487-17-3 This article mentions the following:

A novel Sc-BiOBr photocatalyst was innovatively prepared via the dispersion of Sc-BiOBr onto the surface of palm bark with the utilization of 1-Me imidazolium chloride ionic liquid as the solvent. The crystalline phase, morphol., chem. composition and optical property of the photocatalyst were investigated by X-ray diffraction (XRD), XPS, scanning electron microscope (SEM) attached with energy dispersive spectrometer (EDS), transmittance electron microscopy (TEM), Fourier transform IR (FT-IR) spectrometry, Brunauer-Emmett-Teller (BET) surface area, photoluminescence (PL) spectra and UV-vis diffuse reflectance spectroscopy (DRS). Photocatalytic activity was evaluated by the photodegradation of estradiol. The photodegradation rate of estradiol over Sc-BiOBr/palm bark photocatalyst was 99.9% under visible light irradiation, which exhibited excellent photocatalytic efficiency than pure BiOBr. The kinetics of estradiol photodegradation catalyzed by Sc-BiOBr/palm bark photocatalyst was investigated by fitting the data with the data with pseudo-first-order model. The apparent rate constant of Sc-BiOBr/palm bark photocatalyst was 1.88 and 1.27 times higher than that of pure BiOBr and Sc-BiOBr. Meanwhile, the effect of photocatalyst loading and initial estradiol concentration was also investigated. The recycling experiments revealed that the Sc-BiOBr/palm bark photocatalyst still exhibited excellent photocatalytic activity after five recycling runs. The radical quenching experiments verified that •O^–₂ and h⁺ were the dominant reactive species. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Application of 35487-17-3).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Application of 35487-17-3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Deep eutectic solvents with multiple hydroxyl sites for efficient and reversible absorption of SF₆ was written by Liu, Ping;Cai, Kaixing;Liu, Mao;Xu, Meisong;Zhao, Tianxiang. And the article was included in Journal of Molecular Liquids in 2022.COA of Formula: C4H7ClN2 This article mentions the following:

Finding the adsorbents to efficiently and reversibly capture SF₆ has important research significance. Most of the currently reported solid absorbents used to capture SF₆ can have disadvantages such as difficult recovery and easy deactivation. To address this critical challenge, we here report an effective strategy to capture sulfur hexafluoride (SF₆) using the hydroxyl-rich deep eutectic solvents (DESs) for the first time. The phys. properties of as-prepared seven hydroxyl-rich DESs are systematically investigated, and the effects of structure of DESs, absorption temperature, pressure, and water content on absorption performance of SF₆ also are inspected, resp. In particular, ChCl-Gly (1:2) not only exhibits highest absorption capacity of SF₆ with up to 0.1738 g SF₆/g DES at 293.2 K and 1.0 bar, but also can be reused without significant decline in absorption capacity of SF₆. In addition, the absorption mechanism study of SF₆ is conducted by FTIR, NMR and DFT chem. calculations The results suggest that the high absorption capacity of SF₆ originates from the intermol. hydrogen bonding of SF₆ mols. and hydroxyl protons in DESs. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3COA of Formula: C4H7ClN2).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.COA of Formula: C4H7ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Biological characterization of novel nitroimidazole-peptide conjugates in vitro and in vivo was written by Bergmann, Ralf;Splith, Katrin;Pietzsch, Jens;Bachmann, Michael;Neundorf, Ines. And the article was included in Journal of Peptide Science in 2017.Product Details of 22813-32-7 This article mentions the following:

Recently, we reported on the design of a multimodal peptide conjugate useful as delivery platform for targeting hypoxic cells. A nitroimidazole (2-(2-nitroimidazol-1-yl)acetic acid, NIA) moiety, which is selectively entrapped in hypoxic cells, was coupled to a cell-penetrating peptide serving as the transporter. Furthermore, attachment of a bifunctional linker allowed the introduction of a diagnostic or therapeutic radiometal. However, although selective tumor accumulation could be detected in vivo, a fast renal clearance of the compound was observed The present study aims to improve the system by using the more proteolytically stable all-D version of the peptide carrier (DsC18), by attaching two NIA moieties instead of one (DsC18(NIA)₂) to enhance the tumor uptake, and by incorporating the bifunctional chelator NODAGA instead of DOTA (NODAGA-DsC18(NIA)₂) to optimize labeling chem. First, we characterized in vitro the novel all-D peptide compared with its parent L-version. Then, in order to investigate and compare the pharmacol. profiles of the peptides, these were radiolabeled with ⁶⁴Cu^II and ⁶⁸Ga^III, and the biodistribution and kinetics were evaluated in vivo. Our results show the versatility of the D-peptide as cell-penetrating peptide and transporter. However, attaching two NIA groups modified the system in such a way that no selective tumor uptake could be observed compared with the peptide without NIA moieties. Still, this work highlights new pharmacokinetic data on the biodistribution of such compounds in vivo. Copyright © 2017 European Peptide Society and John Wiley & Sons, Ltd. In the experiment, the researchers used many compounds, for example, 2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7Product Details of 22813-32-7).

2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Product Details of 22813-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Confronting the Challenging Asymmetric Carbonyl 1,2-Addition Using Vinyl Heteroarene Pronucleophiles: Ligand-Controlled Regiodivergent Processes through a Dearomatized Allyl-Cu Species was written by Dong, Yuyang;Schuppe, Alexander W.;Mai, Binh Khanh;Liu, Peng;Buchwald, Stephen L.. And the article was included in Journal of the American Chemical Society in 2022.Name: 1-(1-Methyl-1H-imidazol-2-yl)ethanone This article mentions the following:

A CuH-catalyzed regiodivergent coupling of vinyl heteroarenes with carbonyl-containing electrophiles, in which the selectivity was controlled by the ancillary ligand. This approach leverages an in situ generated benzyl- or dearomatized allyl-Cu intermediate, yielding either the dearomatized or exocyclic addition products, resp. The method exhibited excellent regio-, diastereo-, and enantioselectivity and tolerated a range of common functional groups and heterocycles. The dearomative pathway allowed direct access to a variety of functionalized saturated heterocyclic structures. The reaction mechanism was probed using a combination of exptl. and computational approach. D. functional theory studies suggested that the ligand-controlled regioselectivity results from the C-H/π interaction and steric repulsion in transition states leading to the major and minor regioisomers, resp. Hydrocupration of vinyl heteroarene pronucleophile was the enantiodetermining step, whereas the diastereoselectivity was enforced by steric interactions between the benzylic or allyl-Cu intermediate and carbonyl-containing substrates in a six-membered cyclic transition state. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Name: 1-(1-Methyl-1H-imidazol-2-yl)ethanone).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Name: 1-(1-Methyl-1H-imidazol-2-yl)ethanone

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

A density functional theory based approach for predicting melting points of ionic liquids was written by Chen, Lihua;Bryantsev, Vyacheslav S.. And the article was included in Physical Chemistry Chemical Physics in 2017.Application of 92507-97-6 This article mentions the following:

Accurate prediction of m.ps. of ILs is important both from the fundamental point of view and from the practical perspective for screening ILs with low m.ps. and broadening their use in a wider temperature range. The authors present an ab initio approach to calculate m.ps. of ILs with known crystal structures and illustrate its application for 11 ILs containing imidazolium/pyrrolidinium cations and halide/polyat. fluoro-containing anions. The m.p. is determined as a temperature at which the Gibbs free energy of fusion is zero. The Gibbs free energy of fusion can be expressed through the use of the Born-Fajans-Haber cycle via the lattice free energy of forming a solid IL from gaseous phase ions and the sum of the solvation free energies of ions comprising IL. Dispersion-corrected d. functional theory (DFT) involving (semi)local (PBE-D3) and hybrid exchange-correlation (HSE06-D3) functionals is applied to estimate the lattice enthalpy, entropy, and free energy. The ions solvation free energies are calculated with the SMD-generic-IL solvation model at the M06-2X/6-31+G(d) level of theory under standard conditions. The m.ps. of ILs computed with the HSE06-D3 functional are in good agreement with the exptl. data, with a mean absolute error of 30.5 K and a mean relative error of 8.5%. The model is capable of accurately reproducing the trends in m.ps. upon variation of alkyl substituents in organic cations and replacement one anion by another. The results verify that the lattice energies of ILs containing polyat. fluoro-containing anions can be approximated reasonably well using the volume-based thermodn. approach. However, there is no correlation of the computed lattice energies with mol. volume for ILs containing halide anions. Also, entropies of solid ILs follow two different linear relations with mol. volume for halides and polyat. fluoro-containing anions. Continuous progress in predicting crystal structures of organic salts with halide anions will be a key factor for successful prediction of m.ps. with no prior knowledge of the crystal structure. In the experiment, the researchers used many compounds, for example, 1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6Application of 92507-97-6).

1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Application of 92507-97-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides was written by Milner, Phillip J.;Yang, Yang;Buchwald, Stephen L.. And the article was included in Organometallics in 2015.Product Details of 25676-75-9 This article mentions the following:

A thorough investigation of the challenging Pd-catalyzed fluorination of five-membered heteroaryl bromides is presented. Crystallog. studies and d. functional theory (DFT) calculations suggest that the challenging step of this transformation is C-F reductive elimination of five-membered heteroaryl fluorides from Pd(II) complexes. On the basis of these studies, we have found that various heteroaryl bromides bearing Ph groups in the ortho position can be effectively fluorinated under catalytic conditions. Highly activated 2-bromoazoles, such as 8-bromocaffeine, are also viable substrates for this reaction. In the experiment, the researchers used many compounds, for example, 4-Bromo-1-methylimidazole (cas: 25676-75-9Product Details of 25676-75-9).

4-Bromo-1-methylimidazole (cas: 25676-75-9) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Product Details of 25676-75-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem