Month: December 2022

Improvement of the chromatographic separation performance of an imidazolium ionic liquid functionalized silica column by in situ anion-exchange with dodecyl sulfonate and dodecylbenzene sulfonate anions was written by Sun, Min;Feng, Juanjuan;Chen, Wenjie;Li, Leilei;Duan, Huimin;Luo, Chuannan. And the article was included in Journal of Separation Science in 2014.Product Details of 79917-89-8 This article mentions the following:

The anionic part of ionic liquids can provide addnl. interactions during chromatog. separations The chromatog. separation performance of a silica column functionalized with 1-propyl-3-methylimidazolium chloride ionic liquid was improved by in situ anion-exchange from chloride anions to dodecyl sulfonate anions and dodecylbenzene sulfonate anions. The separation performances of these ionic liquid functionalized phases were studied and compared with each other using polycyclic aromatic hydrocarbons, phthalates, parabens, and phenols as model compounds The new columns presented a better chromatog. separation than the original one. This was ascribed retention mechanism from organic anions. The introduction of dodecyl sulfonate anions increased the hydrophobicity of stationary phase. Also, the Ph groups of dodecylbenzene sulfonate anions could provide an enhanced selectivity to aromatic compounds such as polycyclic aromatic hydrocarbons by π-π interactions. Anal. repeatability of the new columns was satisfactory (relative standard deviation of retention time, 0.10-0.40%; relative standard deviation of peak area, 0.66-0.84%). In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Product Details of 79917-89-8).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Product Details of 79917-89-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

From Synthetic Simplified Marine Metabolite Analogues to New Selective Allosteric Inhibitor of Aurora B Kinase was written by Juillet, Charlotte;Ermolenko, Ludmila;Boyarskaya, Dina;Baratte, Blandine;Josselin, Beatrice;Nedev, Hristo;Bach, Stephane;Iorga, Bogdan I.;Bignon, Jerome;Ruchaud, Sandrine;Al-Mourabit, Ali. And the article was included in Journal of Medicinal Chemistry in 2021.Computed Properties of C7H5N3O2 This article mentions the following:

Significant inhibition of Aurora B was achieved by the synthesis of simplified fragments of benzosceptrins and oroidin belonging to the marine pyrrole-2-aminoimidazoles metabolites isolated from sponges. Evaluation of kinase inhibition enabled the discovery of a synthetically accessible rigid acetylenic structural analog EL-228, whose structure could be optimized into the potent CJ2-150. Here we present the synthesis of new inhibitors of Aurora B kinase, which is an important target for cancer therapy through mitosis regulation. The biol. oriented synthesis yielded several nanomolar inhibitors. The optimized compound CJ2-150 showed a non-ATP competitive allosteric mode of action in a mixed-type inhibition for Aurora B kinase. Mol. docking identified a probable binding mode in the allosteric site “F” and highlighted the key interactions with the protein. We describe the improvement of the inhibitory potency and specificity of the novel scaffold as well as the characterization of the mechanism of action. In the experiment, the researchers used many compounds, for example, 6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3Computed Properties of C7H5N3O2).

6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3) 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Computed Properties of C7H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Preparation of reducing sugar from duckweed catalyzed by heteropolyacid-based ionic liquids was written by Zhang, Xiafei;Cai, Zhenping;Ma, Hao;Wang, Furong;Yu, Yinghao;Li, Xuehui. And the article was included in Huagong Xuebao (Chinese Edition) in 2015.Product Details of 35487-17-3 This article mentions the following:

Reducing sugar was prepared by the hydrolysis of duckweed with a series of acid ionic liquids (ILs). The effects of reaction conditions such as structure of catalyst, dosage of catalyst, reaction temperature and reaction time on the yield of total reducing sugar were investigated. The results showed that, imidazole phosphotungstic ionic liquids had the good performance in hydrolysis of duckweed. The best yield of total reducing sugar is 79.8% under the condition of 140°C, 3 h, 0.4 mmol IL catalyst. The residue and raw material were characterized by using Fourier transform IR spectroscopy (FT-IR), thermogravimetric (TG) and elemental anal. (EA). Furthermore, the IL recovered can be used without significant loss of activity after 5 runs (reducing sugar yield of 70.1%). In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Product Details of 35487-17-3).

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 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 35487-17-3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Asymmetric Synthesis of Multi-Substituted Tetrahydrofurans via Palladium/Rhodium Synergistic Catalyzed [3+2] Decarboxylative Cycloaddition of Vinylethylene Carbonates was written by Ming, Siliang;Qurban, Saira;Du, Yu;Su, Weiping. And the article was included in Chemistry – A European Journal in 2021.Related Products of 85692-37-1 This article mentions the following:

An efficient synergistic catalysis for the diastereo- and enantioselective synthesis of multi-substituted THF derivatives I (R¹ = Me, i-Pr, Ph; R² = Ph, thiophen-2-yl, naphthalen-2-yl, etc.; R³ = Ph, 4-chloropheny, furan-2-yl, etc.) has been developed. Under mild reaction conditions, a series of target mols. with three consecutive stereocenters were synthesized by a palladium(0)/rhodium(III) bimetal-catalyzed asym. decarboxylative [3+2]-cycloaddition of vinylethylene carbonates II with α,β-unsaturated carbonyl compds III. The corresponding adducts were obtained with moderate to high yields (67% ∼ 98%) and excellent stereoselectivities (>20:1 d.r., up to 99% ee). In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Related Products of 85692-37-1).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. 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.Related Products of 85692-37-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Supported hypochlorites: oxidation in nonaqueous media with sodium and calcium hypochlorite on alumina was written by Ando, Takashi;Cork, David G.;Fujita, Mitsue;Kimura, Takahide. And the article was included in Chemistry Express in 1987.Application of 85692-37-1 This article mentions the following:

Sodium hypochlorite supported on alumina gave an active reagent for convenient oxidation of benzyl and secondary alcs., α,ω-diols and sulfides. Calcium hypochlorite mixed with alumina was effective for the selective oxidation of benzylic alcs. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Application of 85692-37-1).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) 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 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 85692-37-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Formation of 4(5)-aminoglyoxalines. II. Non-reactivity of the halogen atom in 4(5)-bromoglyoxaline-5(4)-carboxylic acid was written by Balaban, Isidore E.. And the article was included in Journal of the Chemical Society in 1932.Synthetic Route of C4H5N3O This article mentions the following:

Et 2,5-dibromoglyoxaline-4-carboxylate and Na₂SO₃ in H₂O, boiled 3-3.5 hrs., give 69.6% of Et 4(5)-bromoglyoxaline-5(4)-carboxylate, m. 170°; the free acid m. 253°; the acid is recovered unchanged in part or completely destroyed with KCN, Na₂SO₃, Na₂HAsO₃ and CH₂(CO₂Et)₂ in EtOH; Cu bronze gives no satisfactory product and NH₃ in H₂O or EtOH gives only the NH₄ salt, m. 259°. Et glyoxaline-4(5)-carboxylate and NH₄OH (d. 0.880), heated 3-4 hrs. at 150°, give the amide, crystals with 1 mol. H₂O, m. 215° (picrate, yellow, m. 228°); reduction with Na-Hg in EtOH-H₂SO₄ gives 26.2% of 4(5)-hydroxymethylglyoxaline; it could not be converted into the amino derivative by the Hofmann reaction, 60% of the amide being recovered. Br in CHCl₃ gives 30.3% of the 2,5-di-Br derivative, m. 256°. In the experiment, the researchers used many compounds, for example, 1H-Imidazole-4-carboxamide (cas: 26832-08-6Synthetic Route of C4H5N3O).

1H-Imidazole-4-carboxamide (cas: 26832-08-6) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. 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).Synthetic Route of C4H5N3O

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

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

Inhibition of the growth of Saccharomyces cerevisiae by benzimidazole was written by Evans, C. H.;Brown, E. G.. And the article was included in Biochemical Society Transactions in 1974.Application In Synthesis of 7-Methyl-1H-benzo[d]imidazole This article mentions the following:

There was no correlation between the fungistatic activities of benzimidazole derivatives and their abilities to inhibit milk xanthine oxidase (EC 1.2.3.2) [9002-17-9], suggesting that the fungistatic activity was not mediated primarily through an effect on this enzyme. Uptake of hypoxanthine-14C by untreated cells was greater than that by treated cells, but the proportion of the uric acid-xanthine-hypoxanthine were similar, 1:2.2:9.9 and 1:2.2:10.9, resp. However, treated, but not untreated, cells excreted labeled II into the culture medium. The metabolic significance of these results is discussed. In the experiment, the researchers used many compounds, for example, 7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6Application In Synthesis of 7-Methyl-1H-benzo[d]imidazole).

7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6) 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 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 In Synthesis of 7-Methyl-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Mutually immiscible ionic liquids was written by Arce, Alberto;Earle, Martyn J.;Katdare, Suhas P.;Rodriguez, Hector;Seddon, Kenneth R.. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2006.Synthetic Route of C7H13ClN2 This article mentions the following:

This work presents the novel discovery of room-temperature ionic liquids that are mutually immiscible, some of which are also immiscible with solvents as diverse as water and alkanes; an archetypal biphasic system is trihexyltetradecylphosphonium chloride with 1-alkyl-3-methylimidazolium chloride (where the alkyl group is shorter than hexyl). In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Synthetic Route of C7H13ClN2).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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.Synthetic Route of C7H13ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem