Tag: M.W=150-200

Machado, Poliana A. L. published the artcileLiquid-Liquid Phase Equilibrium and Ion-Exchange Exploration for Aqueous Two-Phase Systems of ([C₄mim]Cl + K₂CO₃ or K₃C₆H₅O₇ + water) at Different Temperatures, Related Products of imidazoles-derivatives, the publication is Journal of Solution Chemistry (2022), 51(3), 320-344, database is CAplus.

Liquid-liquid equilibrium (LLE) data and phase diagrams for new aqueous two-phase systems (ATPSs) containing 1-butyl-3-methylimidazolium chloride ([C₄mim]Cl) + tripotassium citrate or potassium carbonate + water were determined exptl. at T = (283.15, 293.15, 298.15, 308.15, and 313.15) K and p = 94 kbar. The effect of the temperature, anion, composition, and ion exchange were evaluated in the formation of these ATPSs. It was observed that decreasing the temperature promoted the phase separation in both ATPSs indicating the exothermic character of the process. The ability of different anions to induce phase separation was compared and the order for the strength of the salting out effect observed was PO^3-₄ > HPO^2-₄ > CO^2-₃ > C₆H₅O^3-₇>HO^–. The extent of ion exchange between the equilibrium phases in the two different ATPSs was exptl. evaluated and found to be negligible. The binodal curves were fitted to an empirical non-linear expression and the salting out effect was explored using the type-Setschenow equation and the consistence of equilibrium data was evaluated theor. using the Othmer-Tobias, Hand and Bancroft equations. Finally, the liquid-liquid equilibrium in the ATPSs evaluated in the present work were modeled by NRTL model.

Journal of Solution Chemistry published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Related Products of imidazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Alberti, Guido published the artcileCationic dyes for acrylic fibers. V. Cationic dyes derived from several heterocyclic amines with two or more heteroatoms, SDS of cas: 13682-33-2, the publication is Annali di Chimica (Rome, Italy) (1975), 65(5-6), 305-14, database is CAplus.

Fourteen cationic azo dyes (I, R = dimethylimidazolium, dimethylbenzimidazolium, methylindazolium, dimethyltriazolium, dimethyltetrazolium, dimethylthiadiazolium residues; R1 = OH, CN; X = MeSO4, ZnCl3; n = 0, 1) were prepared by coupling the diazotized heterocyclic base derivative with PhN(CH2CH2CN)2 [1555-66-4] or PhN(CH2CH2OH)2 [120-07-0] and quaternizing the resulting azo dye base. The dyeing properties of I on acrylic fibers, their shades,, their exhaust properties, and absorption spectra were determined

Annali di Chimica (Rome, Italy) published new progress about 13682-33-2. 13682-33-2 belongs to imidazoles-derivatives, auxiliary class Imidazole,Amine,Benzene, name is 4-(1H-Imidazol-2-yl)aniline, and the molecular formula is C9H9N3, SDS of cas: 13682-33-2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Izquierdo, Rodolfo published the artcileDo certain imidazolium-based ionic liquid ion pairs/mordenite capture H₂S by conformational traps? An ONIOM-DFT study, Synthetic Route of 79917-90-1, the publication is Microporous and Mesoporous Materials (2022), 112053, database is CAplus.

We present detailed ONIOM(ωB97X-D:PM6) calculations for the formation mechanism of novel composites combining protonic mordenites (H-MOR) with various ionic liquids: 1,3-dimethyl-imidazolium chloride [MMIm]Cl, 1-ethyl-3-methyl-imidazolium chloride [EMIm]Cl; 1-methyl-3-propyl-imidazolium chloride [PMIm]Cl; 1-butyl-3-methyl-imidazolium chloride [BMIm]Cl, 1-(2-hydroxyethyl)-3-methyl-imidazolium chloride [HEMIm]Cl, 1,3-dimethyl-1,3,2-diazasilolium chloride [MMSiN]Cl, and 1,3-dimethyl-1,3-diphospholium chloride [MMPP]Cl. The most feasible [M]-MOR formation mechanism ([M]⁺ = [MMIm]⁺, [EMIm]⁺, [PMIm]⁺, [BMIm]⁺, [HEMIm]⁺, [MMSiN]⁺ [MMPP]⁺) involves an ion exchange at the T4O10 position favoring the isolation of a minimal number of [M]⁺ isomers (i.e., conformational traps). The interaction of these [M]-MOR composites with pollutant gases has afterward been evaluated. Among the studied systems, [EMIm]-MOR and [HEMIm]-MOR present electronic and steric conditions for potential applications in gas separation, capture, and storage (H₂ and H₂S). The H-MOR framework exhibits two structural conformers with the [HEMIm]+ cation in the confined space. Both, the MOR-T4O10-[HEMIm] and MOR-T4O10-[HEMIm]HB conformers, interconvert by a dynamic equilibrium with a transition state MOR-T4O10-TS1 acting as a conformational switch (Image 1-Image 2) that selectively recognizes and captures H₂S through a plier-like conformation.

Microporous and Mesoporous Materials published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Synthetic Route of 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Tertov, B. A. published the artcileLithium and sodium derivatives of N-substituted 2-alkylbenzimidazoles, Application In Synthesis of 4760-35-4, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1986), 1073-7, database is CAplus.

The title compounds (I; R = Me, Ph; R¹ = H, Me, Et, R² = Li, Na) were prepared in 90-6% yields by metalation of I (R¹ = H) with R³Li or R³Na (R³ = Bu, Ph, naphthyl). The preparation of other derivatives by treating I (R² = Li, Na) with Ph₂CO, PrONO₂, aldehydes, and iodides was also discussed. Thus, treating I (R = Me, R¹ = H, R² = Na) with MeI gave the corresponding I (R² = Me).

Khimiya Geterotsiklicheskikh Soedinenii published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C8H5F3O2S, Application In Synthesis of 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Dumat, Blaise published the artcileDNA Switches on the Two-Photon Efficiency of an Ultrabright Triphenylamine Fluorescent Probe Specific of AT Regions, Safety of 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, the publication is Journal of the American Chemical Society (2013), 135(34), 12697-12706, database is CAplus and MEDLINE.

We report on the design and synthesis of two-photon fluorescent triphenylamines bearing two or three vinyl branches terminated by a N-Me benzimidazolium moiety. The new compounds (TP-2Bzim, TP-3Bzim) are light-up fluorescent DNA probes with a long wavelength emission (>580 nm). Compared to their pyridinium models, the TP-Bzim dyes exhibit a remarkable improvement of both their DNA affinity and fluorescence quantum yield, especially for the two-branch derivative (TP-2Bzim: Φ_F = 0.54, K_a = 10⁷ M^-1), resulting in a large fluorescence emission turn-on ratio of up to 140. Concomitantly, the two-photon absorption cross-section of TP-2Bzim is dramatically enhanced upon DNA binding (δ = 1080 vs 110 GM for the free form). This effect of the DNA matrix on the nonlinear absorption is uncovered for the first time. This is attributed to a tight fit of the mol. inside the minor groove of AT-rich DNA which induces geometrical rearrangements in the dye ground state as supported by CD and mol. modeling data. Consequently, TP-2bzim displays an exceptional two-photon mol. brightness (δ×Φ_F = 583 GM), a value unrivalled for a small biofluorophore. These properties enable to image nuclear DNA in fixed cells at submicromolar concentration ([TP-2Bzim] = 100 nM) and to visualize ultrabright foci of centromeric AT-rich chromatin. Finally TP-2Bzim exhibits a high photostability, is live-cell permeant, and does not require RNase treatment. This outstanding combination of optical and biol. properties makes TP-2Bzim a bioprobe surpassing the best DNA stainers and paves the way for studying further nonlinear optical processes in DNA.

Journal of the American Chemical Society published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Safety of 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Lima, Thailan Souza Pereira published the artcilePurification of vitamins from tomatoes (Solanum lycopersicum) using ethanolic two-phases systems based on ionic liquids and polypropylene glycol, Quality Control of 79917-90-1, the publication is Fluid Phase Equilibria (2022), 113434, database is CAplus.

Tomatoes (Solanum lycopersicum) represent the second most produced and consumed vegetable crop in the world and can be considered a source of various nutrients, such as minerals, fiber, phenolic compounds, and vitamins A (precursors: β-carotene) and E (α -tocopherol). The actions of vitamins in the regulation of biol. functions and disease prevention have encouraged the food, cosmetic and pharmaceutical industries to formulate new products. In this sense, extraction procedures integrated with purification protocols should be increasingly considered. This work aims to extract β-carotene and α-tocopherol from tomatoes using ethanol followed by an integrated purification procedure in ethanolic two-phase systems (ETPSs). Initially, phase diagrams for systems based on polypropylene glycol (PPG) + ionic liquids (IL) + ethanol were constructed at 298.15 ± 1.00 K and 0.10 ± 0.01 MPa. The driving force for phase separation is the hydrophilic/hydrophobic balance between the constituents of the system, with the largest biphasic region formed by PPG with a higher mol. weight (PPG 4000), IL formed by short alkyl chain cations, the pyridinium family [C₂mpyr]⁺, and anion [CH₃SO₃]^–. The partitioning of β-carotene and α-tocopherol (pure mols.) was selective with preferential migration of β-carotene to the bottom phase (IL-rich), while α-tocopherol migrated preferentially to the top phase (PPG-rich). In real systems using tomatoes and the best condition of the model system formed by PPG-4000 (18.04 wt%) + [C₂mim]Cl (45.56 wt%) and ethanol (36.04 wt%), the partitioning was similar, and the purity was 2.82-fold for β-carotene in the bottom phase and 171.89-fold for α-tocopherol in the top phase.

Fluid Phase Equilibria published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Quality Control of 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Said, Mohamed El Hadi published the artcile2-Hydroxymethyl-1,3-dimethyl-1H-benzimidazol-3-ium iodide, Formula: C9H10N2O, the publication is Acta Crystallographica, Section E: Structure Reports Online (2013), 69(9), o1429-o1430, database is CAplus and MEDLINE.

In the cation of the title compound, C₁₀H₁₃N₂O⁺·I^–, all non-H atoms, with the exception of the O atom, are essentially coplanar, with a maximum deviation of 0.04(1) Å. In the crystal, the cations and anions are arranged in layers parallel to (100). The cations are connected to the anions via an O-H···I H bond and there are significant π-π stacking interactions between cation layers, with centroid-centroid distances in the range 3.606(5)-3.630(5) Å. A weak intramol. C-H···O H bond is also observed The crystal studied was an inversion twin with refined components of 0.52(5) and 0.48(5). Crystallog. data and at. coordinates are given.

Acta Crystallographica, Section E: Structure Reports Online published new progress about 7467-35-8. 7467-35-8 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Alcohol, name is (1-Methyl-1H-benzo[d]imidazol-2-yl)methanol, and the molecular formula is C9H10N2O, Formula: C9H10N2O.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Njoya, Yves published the artcileMicrowave assisted synthesis of new benzimidazoles, Category: imidazoles-derivatives, the publication is Heterocycles (2002), 57(8), 1423-1432, database is CAplus.

New potentially bioactive and highly functionalized benzimidazoles were synthesized by using microwave irradiation methodol. in multi-steps: construction of benzimidazole ring, N-methylation and electron transfer C-alkylation (followed by base-promoted nitrous acid elimination) or S-alkylation.

Heterocycles published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Category: imidazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Benhassine, Anfel published the artcileCopper(II) and zinc(II) as metal-carboxylate coordination complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: Synthesis, crystal structure, spectroscopy, DFT calculations and antioxidant activity, COA of Formula: C9H10N2O, the publication is Journal of Molecular Structure (2018), 406-414, database is CAplus.

This work presents a combined exptl. and theor. study of two new metal-carboxylate coordination compounds These complexes were prepared from (1-methyl-1H-benzimidazol-2-yl)methanol under mild conditions. The structures of the prepared compounds were characterized by single-crystal x-ray anal., FTIR and UV-visible spectroscopy. In the Copper complex, the Cu(II) ion is coordinated by two ligands, which act as bidentate chelator through the non-substituted N and O atoms, and two carboxylic oxygen atoms, displaying a hexacoordinated compound in a distorted octahedral geometry, while in the zinc complex the ligand is ligated to the Zn(II) ion in monodentate fashion through the N atom, and the metal ion is also bonded to carboxylic oxygen atoms. The tetracoordinated compound displays a distorted tetrahedral shape. The d. functional theory calculations were carried out for the determination of the optimized structures. The electronic transitions and fundamental vibrational wave numbers are calculated and are in good agreement with exptl. In addition, the ligand and its Cu(II) and Zn(II) complexes were screened and evaluated for their potential as DPPH radical scavenger.

Journal of Molecular Structure published new progress about 7467-35-8. 7467-35-8 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Alcohol, name is (1-Methyl-1H-benzo[d]imidazol-2-yl)methanol, and the molecular formula is C9H10N2O, COA of Formula: C9H10N2O.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Benhassine, Anfel published the artcileCobalt(II) complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: synthesis, crystal structure, spectroscopy, DFT calculations, and antioxidant activity, SDS of cas: 7467-35-8, the publication is Journal of Coordination Chemistry (2018), 71(2), 311-328, database is CAplus.

The authors present a combined exptl. and computational study of two new cobalt(II) complexes as [Co(Hmbm)₂(OAc)₂] and [Co(Hmbm)₂(H₂O)₂]Cl₂ (Hmbm = (1-methyl-1H-benzo[d]imidazol-2-yl)methanol). Both complexes were characterized by FTIR and UV-visible spectroscopy, elemental anal., and single-crystal x-ray crystallog. The mol. geometries, electronic transitions, and vibrational frequencies of the two complexes and the ligand (Hmbm) in the ground state were calculated using global hybrid (B3LYP) and range-separated hybrid (CAM-B3LYP) d. functional. Qual. description of excited states and charge transfer character of electronic transitions states were carried out by plotting the Natural Transition Orbitals (NTOs) for main states, and were assigned to LMCT. The ligand and its Co(II) complexes were evaluated for their potential as DPPH radical scavengers.

Journal of Coordination Chemistry published new progress about 7467-35-8. 7467-35-8 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Alcohol, name is (1-Methyl-1H-benzo[d]imidazol-2-yl)methanol, and the molecular formula is C9H10N2O, SDS of cas: 7467-35-8.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem