Tag: 500-600

Modified normal-phase ion-pair chromatographic methods for the facile separation and purification of imidazolium-based ionic compounds was written by Urban, Nathaniel D.;Schenkel, Magdalene R.;Robertson, Lily A.;Noble, Richard D.;Gin, Douglas L.. And the article was included in Tetrahedron Letters in 2012.Recommanded Product: 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide This article mentions the following:

Imidazolium- and oligo(imidazolium)-based ionic organic compounds are important in the design of room-temperature ionic liquid materials; however, the chromatog. anal. and separation of such compounds are often difficult. A convenient and inexpensive method for effective thin-layer chromatog. (TLC) anal. and column chromatog. separation of imidazolium-based ionic compounds is presented. Normal-phase ion-pair TLC was used to effectively analyze homologous mixtures of these ionic compounds Subsequent separation of the mixtures was performed using ion-pair flash chromatog. on normal-phase silica gel, yielding high levels of recovery. This method also results in a complete exchange of the counteranion on the imidazolium compounds to the anion of the ion-pair reagent. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Recommanded Product: 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. 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. Recommanded Product: 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Study on the optical characteristics according to the anion and cation in the ionic liquid and MWCNT ionanofluid was written by Lee, Minjung;Park, Chasik;Cho, Honghyun. And the article was included in International Journal of Nanotechnology in 2022.Safety of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide This article mentions the following:

In this paper the light absorption rate with changes in cation and anion of MWCNT ionanofluid was investigated and compared to that of ionic liquid (IL). As a result the light absorbance of [C₁₂MIM][Tf₂N] with a larger cation radius was higher than that of [HMIM][Tf₂N]. In addition the light absorbance of [HMIM][Tf₂N] was lower than that of [HMIM][TfO]. When the MWCNT nanoparticles were added to IL the light absorbance was increased. As the thickness of the fluid layer increased the solar weighted absorption fraction was also increased; however the increment of solar weighted absorption fraction in [HMIM][TfO] IL and ionanofluid increased compared to that of [HMIM][Tf₂N] and [C₁₂MIM][Tf₂N]. Thus light absorbance increases because mols. interfere with the light transmission as the bonding force increases when the cation is large or the anion is small and the crystallization temperature is relatively high. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Safety 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. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. 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.Safety of 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Improvement of the cloud point extraction of uranyl ions by the addition of ionic liquids was written by Gao, Song;Sun, Taoxiang;Chen, Qingde;Shen, Xinghai. And the article was included in Journal of Hazardous Materials in 2013.Recommanded Product: 404001-48-5 This article mentions the following:

The cloud point extraction (CPE) of uranyl by different kinds of extractants in Triton X-114 (TX-114) micellar solution was studied upon the addition of ionic liquids (ILs) with various anions, i.e., Br^–, BF₄^–, PF₆^– and bis[(trifluoromethyl)sulfonyl]imide (NTf₂^–). A significant increase of the extraction efficiency was found on the addition of NTf₂^– based ILs when using neutral extractant tri-octylphosphine oxide (TOPO), and the extraction efficiency kept high at both nearly neutral and high acidity. However, the CPE with acidic extractants, e.g., bis(2-ethylhexyl) phosphoric acid (HDEHP) and 8-hydroxyquinoline (8-HQ) which are only effective at nearly neutral condition, was not improved by ILs. The results of zeta potential and ¹⁹F NMR measurements indicated that the anion NTf₂^– penetrated into the TX-114 micelles and was enriched in the surfactant-rich phase during the CPE process. Meanwhile, NTf₂^– may act as a counterion in the CPE of UO₂²⁺ by TOPO. The addition of IL increased the separation factor of UO₂²⁺ and La³⁺, which implied that in the micelle TOPO, NTf₂^– and NO₃^– established a soft template for UO₂²⁺. Therefore, the combination of CPE and IL provided a supramol. recognition to concentrate UO₂²⁺ efficiently and selectively. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Recommanded Product: 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 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 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.Recommanded Product: 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Gas solubility in long-chain imidazolium-based ionic liquids was written by Dai, Chengna;Lei, Zhigang;Chen, Biaohua. And the article was included in AIChE Journal in 2017.Electric Literature of C18H31F6N3O4S2 This article mentions the following:

The gas solubility in 1-dodecyl-3-methylimidazolium [C₁₂MIM] based ionic liquids (ILs) was measured at temperatures (333.2, 353.2, and 373.2) K and pressures up to 60 bar for the first time. The popular UNIFAC-Lei model was successfully extended to long-chain imidazolium-based IL and gas (CO₂, CO, and H₂) systems. The free volume theory was used to explain the gas solubility and selectivity in imidazolium-based ILs by calculating the fractional free volume and free volume by the COSMO-RS model. Furthermore, the excess enthalpy of gas-IL system was concerned to provide new insights into temperature dependency of gas (CO₂, CO, and H₂) solubility in ILs. The exptl. data, calculation, and theor. anal. presented in this work are important in gas separations with ILs or supported ionic liquid membranes. © 2017 American Institute of Chem. Engineers AIChE J, 2017. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Electric Literature of C18H31F6N3O4S2).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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 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.Electric Literature of C18H31F6N3O4S2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Controlling the outcome of S_N2 reactions in ionic liquids: from rational data set design to predictive linear regression models was written by Schindl, Alexandra;Hawker, Rebecca R.;Schaffarczyk McHale, Karin S.;Liu, Kenny T.-C.;Morris, Daniel C.;Hsieh, Andrew Y.;Gilbert, Alyssa;Prescott, Stuart W.;Haines, Ronald S.;Croft, Anna K.;Harper, Jason B.;Jager, Christof M.. And the article was included in Physical Chemistry Chemical Physics in 2020.Product Details of 404001-48-5 This article mentions the following:

Rate constants for a bimol. nucleophilic substitution (S_N2) process in a range of ionic liquids are correlated with calculated parameters associated with the charge localization on the cation of the ionic liquid (including the mol. electrostatic potential). Simple linear regression models proved effective, though the interdependency of the descriptors needs to be taken into account when considering generality. A series of ionic liquids were then prepared and evaluated as solvents for the same process; this data set was rationally chosen to incorporate homologous series (to evaluate systematic variation) and functionalities not available in the original data set. These new data were used to evaluate and refine the original models, which were expanded to include simple artificial neural networks. Along with showing the importance of an appropriate data set and the perils of overfitting, the work demonstrates that such models can be used to reliably predict ionic liquid solvent effects on an organic process, within the limits of the data set. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Product Details of 404001-48-5).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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 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.Product Details of 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Structure, thermodynamic and transport properties of imidazolium-based bis(trifluoromethylsulfonyl)imide ionic liquids from molecular dynamics simulations was written by Androulaki, Eleni;Vergadou, Niki;Ramos, Javier;Economou, Ioannis G.. And the article was included in Molecular Physics in 2012.Synthetic Route of C18H31F6N3O4S2 This article mentions the following:

Mol. dynamics (MD) simulations have been performed in order to investigate the properties of [C_nmim⁺][Tf₂N^–] (n = 4, 8, 12) ionic liquids (ILs) in a wide temperature range (298.15-498.15 K) and at atm. pressure (1 bar). A previously developed methodol. for the calculation of the charge distribution that incorporates ab initio quantum mech. calculations based on d. functional theory (DFT) was used to calculate the partial charges for the classical mol. simulations. The wide range of time scales that characterize the segmental dynamics of these ILs, especially at low temperatures, required very long MD simulations, on the order of several tens of nanoseconds, to calculate the thermodn. (d., thermal expansion, isothermal compressibility), structural (radial distribution functions between the centers of mass of ions and between individual sites, radial-angular distribution functions) and dynamic (relaxation times of the reorientation of the bonds and the torsion angles, self-diffusion coefficients, shear viscosity) properties. The influence of the temperature and the cation’s alkyl chain length on the above-mentioned properties was thoroughly investigated. The calculated thermodn. (primary and derivative) and structural properties are in good agreement with the exptl. data, while the extremely sluggish dynamics of the ILs under study renders the calculation of their transport properties a very complicated and challenging task, especially at low temperatures In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Synthetic Route of C18H31F6N3O4S2).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Synthetic Route of C18H31F6N3O4S2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Diluent effects in the solvent extraction of rhenium (VII) with amine extractants in [Tf2N]-based ionic liquids: Experimental and COSMO-RS analysis was written by Villarroel, E.;Olea, F.;Araya-Lopez, C.;Gajardo, J.;Merlet, G.;Cabezas, R.;Romero, J.;Quijada-Maldonado, E.. And the article was included in Journal of Molecular Liquids in 2022.Recommanded Product: 404001-48-5 This article mentions the following:

In this work, the factors that determine a high or low extraction performance when using ionic liquids (ILs) as diluents in the solvent extraction of Rhenium (Re(VII)) from aqueous solutions were studied by means of experiments, quantum chem. (QC) calculations, and COSMO-RS. For this purpose, kerosene and the ionic liquids (ILs) 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide [C4C1i.m.][Tf₂N], or 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide [C8C1i.m.][Tf₂N] were used as diluents to determine de effect of alkyl chain of ILs, and two high mol. weight amines: trioctylamine (TOA) and Alamine 336 (Al336) were used as the extractants. The results indicated that the so-called reference extracting phase TOA in kerosene achieved 99% extraction percentages. On the contrary, a lower performance was observed when replacing kerosene with any of both ILs. This reduction was mainly due to two reasons. First, the IL dissociates where the cation takes part in the formed complex, hindering the TOA-perrhenate bonding, and second, the formed complex that contains IL cations shows poor dissolution in the diluent phase. This could be avoided by means of long alkyl chain imidazolium bis(trifluoromethylsulfonyl)imide-based ILs. Addnl., operating parameters such as equilibrium stages and concentration of the stripping agent were studied. Promising results were obtained by replacing TOA with Al336 dissolved in the IL [C8C1i.m.][Tf₂N], showing very similar results with the reference extracting phase. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Recommanded Product: 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. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Recommanded Product: 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Free Volume as the Basis of Gas Solubility and Selectivity in Imidazolium-Based Ionic Liquids was written by Shannon, Matthew S.;Tedstone, Jason M.;Danielsen, Scott P. O.;Hindman, Michelle S.;Irvin, A. Christopher;Bara, Jason E.. And the article was included in Industrial & Engineering Chemistry Research in 2012.Product Details of 404001-48-5 This article mentions the following:

While molar volume-based models for gas solubility in ionic liquids (ILs) have been proposed, free volume within the IL can be shown to be the underlying property driving gas solubility and selectivity. Previously published observations as to the distinct differences in solubility trends for gases such as CH₄ and N₂ relative to CO₂ in systematically varied ILs can be attributed to pos. and neg. effects arising from increasing free volume with increasing alkyl chain length. Through the use of COSMOtherm as a powerful and rapid tool to calculate free volumes in 165 existing and theor. 1-n-alkyl-3-methylimidazolium ([C_nmim][X]) ILs, a previously unreported, yet speculated, critical underlying relationship between gas solubility in ILs is herein described. These results build upon previous assertions that Regular Solution Theory is applicable to imidazolium-based ILs, which appeared to indicate that a global maximum had already been observed for CO₂ solubility in imidazolium-based ILs. However, the findings of this computational study suggest that the perceived maximum in CO₂ solubility might be exceeded through rational design of ILs. We observe that although Henry’s constants in ILs are dependent on the inverse of molar volume and free volume, the volume-normalized solubility of CH₄ and N₂ are proportional to free volume, while CO₂ is inversely proportional to the square root of free volume Our free volume model is compared to exptl. data for CO₂/CH₄ and CO₂/N₂ selectivity, and a nearly identical plot of selectivity relative to IL molar volume can be generated from the computational method alone. The overall implication is that large, highly delocalized anions paired with imidazolium cations that have minimally sized alkyl chains may hold the key to achieving greater CO₂ solubility and selectivity in ILs. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Product Details of 404001-48-5).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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 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.Product Details of 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Estimation of the saturation pressure of pure ionic liquids using MLP artificial neural networks and the revised isofugacity criterion was written by Hekayati, Javad;Rahimpour, Mohammad Reza. And the article was included in Journal of Molecular Liquids in 2017.Computed Properties of C18H31F6N3O4S2 This article mentions the following:

Despite the long-held misconception surrounding pure ionic liquids (ILs), recent exptl. investigations have unequivocally established that several ILs could boil at temperatures sufficiently low to avoid the risk of decomposition Nonetheless, the exptl. complexity combined with the high costs incurred for the measurement of the saturation pressure of ILs, with typical values below 0.1 (Pa), make the development of predictive models for this important thermophys. property of great importance. In the current study, utilizing 325 exptl. vapor pressure data points belonging to 26 ILs with mol. weights spanning 205.265-629.763 (g·mol^– 1), a robust multilayer perceptron (MLP) feedforward artificial neural network (ANN) has been constructed. The weights and biases of the proposed network, which is comprised of only one hidden layer with nine neurons, have been optimized using the Bayesian regularization approach. The input parameters of the ANN include the critical temperature, critical pressure, acentric factor, as well the mass connectivity index of the IL of interest, which are easily calculable using a modified Lydersen-Joback-Reid group contribution method. In addition, comprehensive comparisons have been made with two thermodynamically rigorous treatments for the prediction and correlation of the vapor pressure of pure substances, namely the zero-pressure liquid fugacity approach as well as the revised isofugacity criterion. According to the results obtained, the proposed ANN can satisfactorily be employed for the prediction of the saturation pressure of pure ILs with an overall AARD below 1%. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Computed Properties of C18H31F6N3O4S2).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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 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.Computed Properties of C18H31F6N3O4S2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Structural Anomalies and Electronic Properties of an Ionic Liquid under Nanoscale Confinement was written by Pham, Tuan Anh;Coulthard, Riley M.;Zobel, Mirijam;Maiti, Amitesh;Buchsbaum, Steven F.;Loeb, Colin;Campbell, Patrick G.;Plata, Desiree L.;Wood, Brandon C.;Fornasiero, Francesco;Meshot, Eric R.. And the article was included in Journal of Physical Chemistry Letters in 2020.Reference of 404001-48-5 This article mentions the following:

Ionic liquids (ILs) promise far greater electrochem. performance compared to aqueous systems, yet key physicochem. properties governing their assembly at interfaces within commonly used graphitic nanopores remain poorly understood. In this work, we combine synchrotron X-ray scattering with first-principles mol. dynamics simulations to unravel key structural characteristics of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([TFSI]^–) ionic liquids confined in carbon slit pores. X-ray scattering reveals selective pore filling due to size exclusion, while filled pores exhibit disruption in the IL intermol. structure, the extent of which increases for narrower slit pores. First-principles simulations corroborate this finding and quant. describe how perturbations in the local IL structure, particularly the hydrogen-bond network, depend strongly on the degree of confinement. Despite significant deviations in structure under confinement, electrochem. stability remains intact, which is important for energy storage based on nanoporous carbon electrodes (e.g., supercapacitors). In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Reference of 404001-48-5).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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 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 404001-48-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem