Tag: 200-300

DFT Study of the Energetic and Noncovalent Interactions between Imidazolium Ionic Liquids and Hydrofluoric Acid was written by Velarde, Marco V.;Gallo, Marco;Alonso, P. A.;Miranda, A. D.;Dominguez, J. M.. And the article was included in Journal of Physical Chemistry B in 2015.Application of 915358-85-9 This article mentions the following:

In this work, we evaluated the energetic interactions between imidazolium ionic liquids (ILs) and hydrofluoric acid, as well as the cation-anion interactions in ILs. We used DFT calculations that include dispersion corrections employing the PBE and M06 functionals. We tested 22 ILs, including [C₄MIM][PF₆], [C₄MIM][NTf₂], and [C₄MIM][CH₃COO], obtaining interaction energies in the range of -27 to -13 kcal/mol with the PBE functional. The NCI (noncovalent interaction) index developed by Yang and collaborators also was used for mapping the key noncovalent interactions (hydrogen bonds, van der Waals, and steric repulsions) between the anions and cations of ILs and also for interactions of ILs with hydrofluoric acid (HF). The results obtained show that the anions have a stronger effect with respect to cations in their capacity for interacting with hydrofluoric acid, and the strongest interaction energies occur in systems where the key noncovalent interactions are mainly hydrogen bonds. The [C₄MIM][PF₆], [C₄MIM][NTf₂], and [C₄MIM][BF₄] ionic liquids displayed the weakest cation-anion interactions. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9Application of 915358-85-9).

1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9) 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 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 915358-85-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

New Procedure for the Synthesis of 2-Alkylbenzimidazoles was written by Yamashita, Tomohiro;Yamada, Shozo;Yamazaki, Yasundo;Tanaka, Hideo. And the article was included in Synthetic Communications in 2009.Synthetic Route of C15H22N2 This article mentions the following:

Simple, economical, and environmentally friendly method to synthesize 2-alkylbenzimidazoles, e.g., I (Et, n-octyl, c-hexyl), was developed by modifying the conventional method between o-phenylenediamine and aldehydes. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Synthetic Route of C15H22N2).

2-Octylbenzimidazole (cas: 13060-24-7) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. 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 C15H22N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Quantitative structure-activity relationship of benzimidazoles using molecular negentropy on the hepatic mixed-function oxidases inhibition was written by Buyukbingol, Erdem. And the article was included in Gazi Universitesi Eczacilik Fakultesi Dergisi in 1985.Electric Literature of C15H22N2 This article mentions the following:

A series of benzimidazole derivatives containing alkyl groups in the 2-position were studied to estimate the interaction with hepatic microsomal cytochrome P 450 inhibition, using a mol. negentropy parameter which is reflected in the topol. characters of the substituents. Although the lipophilicity of the substituent was the critical factor within a series of homologous compounds, on the basis of a regression equation it was observed that topol. character corroborated the correlation with biol. activity. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Electric Literature of C15H22N2).

2-Octylbenzimidazole (cas: 13060-24-7) 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 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.Electric Literature of C15H22N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

KIO₄-mediated Selective Hydroxymethylation/Methylenation of Imidazo-Heteroarenes: A Greener Approach was written by Franco, Marcelo Straesser;Saba, Sumbal;Rafique, Jamal;Braga, Antonio Luiz. And the article was included in Angewandte Chemie, International Edition in 2021.Synthetic Route of C18H21N3 This article mentions the following:

Herein, a KIO₄-mediated, sustainable and chemoselective approach for the one-pot C(sp²)-H bond hydroxymethylation or methylenation of imidazo-heteroarenes with formaldehyde, generated in situ via the oxidative cleavage of ethylene glycol or glycerol (renewable reagents) through the Malaprade reaction has been reported. In the presence of ethylene glycol, a series of 3-hydroxymethyl-imidazo-heteroarenes was obtained in good to excellent yields. These compounds are important intermediates to access pharmaceutical drugs, e.g., Zolpidem. Furthermore, by using glycerol, bis(imidazo[1,2-a]pyridin-3-yl)methane derivatives were selectively obtained in good to excellent yields. In the experiment, the researchers used many compounds, for example, N,N-Dimethyl-1-(6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl)methanamine (cas: 106961-33-5Synthetic Route of C18H21N3).

N,N-Dimethyl-1-(6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl)methanamine (cas: 106961-33-5) 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 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 C18H21N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Influence of 6- or 8-substitution on the antiviral activity of 3-arylalkylthiomethylimidazo[1,2-a]pyridine against human cytomegalovirus (CMV) and varicella-zoster virus (VZV): Part II was written by Veron, Jean-Baptiste;Allouchi, Hassan;Enguehard-Gueiffier, Cecile;Snoeck, Robert;Andrei, Graciela;De Clercq, Erik;Gueiffier, Alain. And the article was included in Bioorganic & Medicinal Chemistry in 2008.SDS of cas: 217435-65-9 This article mentions the following:

The synthesis of original imidazo[1,2-a]pyridines bearing a thioether side chain at the 3 position and diversely substituted on the 6 or 8 position, and their antiviral activities are reported. From the synthesized compounds, the imidazo[1,2-a]pyridines bearing a 5 membered heterocycle (thiophene, furane or pyrrole) in the 6 position or a phenylthio group in the 6 or 8 position (14, 16, 21, 28, 45) were the most potent against human cytomegalovirus (CMV) and varicella-zoster virus (VZV), whereas several other congeners (i.e., 22, 29 and 39), while less potent, were more selective in their inhibitory activity against VZV and CMV. These compounds showed similar activity against thymidine kinase competent (TK⁺) and deficient (TK^–) VZV strains, demonstrating a mechanism of action independent of the viral thymidine kinase. In the experiment, the researchers used many compounds, for example, 6-Bromo-8-methylimidazo[1,2-a]pyridine (cas: 217435-65-9SDS of cas: 217435-65-9).

6-Bromo-8-methylimidazo[1,2-a]pyridine (cas: 217435-65-9) 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 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).SDS of cas: 217435-65-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Inhibitors of hepatic mixed function oxidases. II. Some benzimidazole, benzoxazole and benzothiazole derivatives was written by Holder, Gerald M.;Little, Peter J.;Ryan, Adrian J.;Watson, Thomas R.. And the article was included in Biochemical Pharmacology in 1976.Recommanded Product: 2-Octylbenzimidazole This article mentions the following:

Aminopyrine N-demethylase [9037-69-8] activity in rat liver microsomes was inhibited by 19 benzimidazole derivatives (e.g. I [615-15-6]), 2 benzoxazole derivatives, and 2 benzothiazole derivatives with 50% inhibitory concentrations (I50) ranging from 1.5 × 10-5M to 108 × 10-5M. Aniline p-hydroxylase [9012-80-0] activity was inhibited by all but 4 of these compounds, with I50 from 16 × 10-5M to 360 × 10-5M, and was stimulated by 3 of the compounds The I50 decreased with increasing lipophilicity caused by extension of the alkyl side chain and modification of the heterocyclic ring. The I50s for inhibition of each enzyme were correlated with the octanol/water partition coefficient of the compounds Quinalbarbitone [309-43-3] sleeping time in mice was increased by 14 out of 16 of the compounds tested. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Recommanded Product: 2-Octylbenzimidazole).

2-Octylbenzimidazole (cas: 13060-24-7) 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.Recommanded Product: 2-Octylbenzimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Catalytic synthesis of benzimidazole and its derivatives was written by Kozlov, N. S.;Tovshtein, M. N.. And the article was included in Vestsi Akademii Navuk BSSR, Seryya Khimichnykh Navuk in 1967.Formula: C15H22N2 This article mentions the following:

A new synthesis of the title compounds (I) was described. A mixture of o-O2NC6H4NH2 and the appropriate alc. in the molar ratio 1:3 or 1:6 was passed at a volume speed 0.3 hr.-1 over a catalyst (40 ml.) of V and Cu on Al2O3 heated to 320° and the product filtered off or in the case of excess alc. the solvent was evaporated and the residue fractionated in vacuo to give I (R, m.p. given): H, 170°; Me, 175°; Et, 179°; Pr, 158°; Bu, 148°; amyl, 159°; hexyl, 134°; heptyl, 141°; octyl, 137°; nonyl, 124°; Ph, 290°. Aldehydes formed as by-products could be isolated by distillation or as oximes. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Formula: C15H22N2).

2-Octylbenzimidazole (cas: 13060-24-7) 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.Formula: C15H22N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Inhibition of hydrogen sulfide corrosion of steel by benzimidazole derivatives was written by Starchak, V. G.;Kosukhina, L. D.. And the article was included in Zashchita Metallov in 1989.Recommanded Product: 13060-24-7 This article mentions the following:

The influence was studied of benzimidazole and 2-alkylbenzimidazoles on the corrosion inhibition of steel 45 in acidic H₂S media by using a weight-loss method. The electrochem. method was used to study the corrosion of Armco Fe, and the polarization resistance of steel St. 3 was measured. Derivatives of benzimidazole, exhibiting synergism in H₂S media, significantly increase the corrosion resistance of steel. The mechanism of inhibition is basically related to blocking and ψ¹-effects. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Recommanded Product: 13060-24-7).

2-Octylbenzimidazole (cas: 13060-24-7) 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.Recommanded Product: 13060-24-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

An electrochemical sensor for diphenylamine detection based on reduced graphene oxide/Fe₃O₄-molecularly imprinted polymer with 1,4-butanediyl-3,3′-bis-l-vinylimidazolium dihexafluorophosphate ionic liquid as crosslinker was written by Liu, Lingyu;Zhu, Xudong;Zeng, Yanbo;Wang, Hailong;Lu, Yixia;Zhang, Jian;Yin, Zhengzhi;Chen, Zhidong;Yang, Yiwen;Li, Lei. And the article was included in Polymers (Basel, Switzerland) in 2018.Category: imidazoles-derivatives This article mentions the following:

In this paper, we report a new composite of reduced graphene oxide/Fe₃O₄-ionic liquid based molecularly imprinted polymer (RGO/Fe3O4-IL-MIP) fabricated for diphenylamine (DPA) detection. RGO/Fe₃O₄-IL-MIP was preparedwith RGO/Fe₃O₄ as supporter, ionic liquid 1-vinyl-3-butylimidazolium hexafluorophosphate ([VC4mim][PF6]) as functional monomer, ionic liquid 1,4-butanediyl-3,3′-bis-l-vinylimidazolium dihexafluorophosphate ([V2C4 (mim)2][(PF6)2]) as crosslinker, and diphenylamine (DPA) as template mol. Fourier transform IR spectroscopy, thermal gravimetric anal., SEM, and vibrating sample magnetometer were employed to characterize the RGO/Fe₃O₄-IL-MIP composite. RGO/Fe₃O₄-IL-MIP was then drop-cast onto a glassy carbon electrode to construct an electrochem. sensor for DPA. The differential pulse voltammetry (DPV) peak current response for 20μM DPA of RGO/Fe₃O₄-IL-MIP modified glassy carbon electrode (GCE) was 3.24 and 1.68 times that of RGO/Fe₃O₄-IL-NIP and RGO/Fe3O4-EGDMA-MIP modified GCEs, resp., indicating the advantage of RGO/Fe₃O₄-ILMIP based on ionic liquid(IL) as a crosslinker. The RGO/Fe3O4-IL-MIP sensor demonstrated good recognition for DPA. Under the optimized conditions, the RGO/Fe₃O₄-IL-MIP sensor exhibited a DPA detection limit of 0.05μM (S/N = 3) with a linear range of 0.1-30μM. Moreover, the new RGO/Fe₃O₄-IL-MIP based sensor detected DPA in real samples with satisfactory results. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9Category: imidazoles-derivatives).

1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9) 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. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Highly Stable Polymeric Ionic Liquid Modified Electrode to Immobilize Ferricyanide for Electroanalysis of Sulfide was written by Chang, Jen-Lin;Wei, Guor-Tzo;Chen, Tsu-Yin;Zen, Jyh-Myng. And the article was included in Electroanalysis in 2013.Product Details of 915358-85-9 This article mentions the following:

We report the preparation and application of a highly stable polymeric ionic liquid-modified electrode to immobilize ferricyanide for sulfide anal. Good long-term stability of the modified electrode verifies its potential in sensor applications. The electrocatalytic sulfide oxidation signal at �.0 V vs. Ag/AgCl in pH 7 PBS at the modified electrode was used for sulfide detection by hydrodynamic chronoamperometry and a detection limit of 12.9nM (S/N =3) was obtained. Practical utility of the system is applied to the determination of sulfides in hot spring water and groundwater. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9Product Details of 915358-85-9).

1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9) 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.Product Details of 915358-85-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem