Tag: M.W=150-200

Steck, Edgar A. published the artcileBenzimidazole derivatives, Computed Properties of 4760-35-4, the publication is Organic Preparations and Procedures International (1975), 7(1), 6-11, database is CAplus.

1-(Aminomethyl)benzimidazoles [I, R = Me, NR2 = 3-carbamoyl-1-piperidinyl, 3-(diethylcarbamoyl-1-piperidinyl, 4-(2-hydroxyethyl)-1-piperazinyl, 4-(ethoxycarbonyl)-1-piperazinyl, R1 = 5-Cl, 6Cl, or 5,6-Cl2] were prepared by Mannich reaction of the appropriate benzimidazole and amine; o-C6H4(NH2)2 or 4-chloro-o-phenylenediamine reacted with 2-deoxy-D-glucose in the presence of Cu(I) acetate to give the corresponding 2-(D-arabino-2,3,4,5-tetrahydroxypentyl)benzimidazole; 2-(chloromethyl)-1-methyl-2-benzimidazole was treated with piperazine and tropine to give 1,4-bis(1-methyl-2-benzimidazolylmethyl)piperazine and 8-(1-methyl-2-benzimidazolyl)methyltropinium chloride resp.

Organic Preparations and Procedures International 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 C6H17NO3Si, Computed Properties of 4760-35-4.

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

Yun, Tae Gwang published the artcileIon-permselective conducting polymer-based electrokinetic generators with maximized utility of green water, HPLC of Formula: 79917-90-1, the publication is Nano Energy (2022), 106946, database is CAplus.

Hydro-elec. technol. has gathered much attention by the virtue of water as the energy source. However, the low energy d. of this technol. severely limits its practical use. Here, we demonstrate a PEDOT:PSS-based transpiration-driven electrokinetic power generator (p-TEPG) that enables the utilization of a wider variety of real-world water resources for maximizing energy generation efficiencies. In addition to the conventional elec. double layer on the material surface, the p-TEPG builds an addnl. p.d. in the polymer matrix by the selective penetration of cations into the matrix that contains sulfonate functional groups. p-TEPG exhibits 80-250% higher energy d. than carbon-based TEPG at the same resistance. Moreover, seawater produced enhanced volumetric energy/power densities (34.36 mJ cm^-3 and 44.70μW cm^-3) and areal energy/power densities (410μJ cm^-2 and 0.45μW cm^-2), resp., compared to DI water on a single p-TEPG device, which is sufficient to charge elec. energy storage systems and directly operate low-powered electronic.

Nano Energy 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 C7H13BrSi, HPLC of Formula: 79917-90-1.

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

Rasoolzadeh, Ali published the artcileA thermodynamic framework for determination of gas hydrate stability conditions and water activity in ionic liquid aqueous solution, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is Journal of Molecular Liquids (2022), 118358, database is CAplus.

The formation of gas hydrates in pipelines and plugging of the gas flow path are a major cause of operating expenses, safety issues, pressure drop, and fatal accidents. Therefore, the inhibition of gas hydrate formation is of paramount importance. The utilization of a new class of inhibitors such as ionic liquids (ILs) is currently of great interest. In this regard, adjusting water activity in the inhibitor blend (water + IL) is a vital factor. Several models have been developed to calculate the activity of water in the presence of IL(s). The major disadvantage of these models is their correlative basis. This study aimed to propose a rigorous predictive model for the calculation of water activity in the presence of IL(s), which would then be applied in the prediction of the gas hydrate stability conditions. The model is made up of a mol. term (the short-range interactions from Free-Volume-Flory-Huggins (FVFH) activity model) as well as a contribution from ionic interactions as a result of IL(s) dissociation in water (the long-range electrostatic interactions from the extended Debye-Huckel (EDH) model). The overall absolute temperature deviation and the average absolute relative deviation percent in the calculated gas (methane and carbon dioxide) hydrate dissociation temperatures for the whole databank (500 data points including 37 ILs) were found to be 0.61 K and 0.22%, resp. This proves the superiority of the model over the previous correlative-basis ones. Finally, it is concluded that the higher temperature, the higher the IL(s) concentration, and the lower IL(s) mol. weight(s) result in larger model deviations.

Journal of Molecular Liquids 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, Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

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

Borges, Mariana S. published the artcileEvaluation of residual biomass produced in Cerrado Tocantinense as potential raw biomass for biorefinery, HPLC of Formula: 79917-90-1, the publication is Biomass Conversion and Biorefinery (2022), 12(8), 3055-3066, database is CAplus.

Furanic compounds such as 5-hydroxymethylfurfural (HMF) and furfural (FF) obtained from biomass have emerged as important industrial chem. platforms. In this sense, the present study aimed to evaluate the economical use of crude biomass of rice husk (RH), cupuacu peel (CP), and pequi peel (PP) to obtain furanic compounds such as HMF and FF, using the ionic liquid 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]) and the catalyst chromium(III) chloride hexahydrate (CrCl₃.6H₂O). The results of the anal. showed that biomasses have potential for use in biorefineries; however, the most promising among those is the RH, due to the significant content of holocellulose. The optimization of hydrolysis through the methodol. developed by Dunning and Dallas (1949) made it possible to obtain significant levels of glucose (14.28%), xylose (3.81%), and arabinose (0.93%). The obtained products were analyzed by Fourier transform IR spectrophotometry (FT-IR) and high-performance liquid chromatog. (HPLC). The best yields for RH obtained were 1.92% (HMF) and 2.89% (FF). From the results obtained, it can be concluded that the RH has a good capacity for producing value-added compounds in biorefineries.

Biomass Conversion and Biorefinery 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, HPLC of Formula: 79917-90-1.

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

Banerjee, Shankha published the artcileStructural Transitions at the Water/Oil Interface by Ionic-Liquid-like Surfactant, 1-Butyl-3-methylimidazolium Dioctyl Sulfosuccinate: Measurements and Mechanism, Related Products of imidazoles-derivatives, the publication is Journal of Physical Chemistry B (2022), 126(9), 2014-2026, database is CAplus and MEDLINE.

Reverse micellar aggregates find wide range of applications in various areas of science and technol. There exists a continuous demand in replacing the interfacial surfactant mols. with various nonconventional amphiphiles. Ionic liquid-like surfactants (IL-surf) constitute a class of such mols. that are being researched extensively. Here, we have formulated several water/IL-surf/oil microemulsions by optimizing the core droplet size with varying oil phase. The best composition of water/[BMIM][AOT]/IPM ([BMIM][AOT]: 1-Butyl-3-methylimidazolium dioctyl sulfosuccinate; IPM: Iso-Pr myristate) was then analyzed in details through exptl. and computer simulations. Our results from DLS measurements suggest a structural transition from spherical aggregates in the parent water/[Na][AOT]/IPM solution to cylindrical droplets in the IL-surf based system. The Raman and ATR-FTIR spectral anal. suggest a variation in microstructure of the water/oil interface due to the differential interaction of the counterions with AOT headgroups and water. Mol. dynamics simulation results provided the direct image of the interface showing structured vs. uneven water/oil interface in [Na][AOT] vs. [BMIM][AOT] RMs, where larger [BMIM] cations weakly bind with the AOT headgroups due to its low charge d. Finally, an application of this IL-surf based formulation was tested by performing Heck cross-coupling reaction that showed significantly higher yield at milder reaction conditions.

Journal of Physical Chemistry B 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

Vallejos-Michea, Camila published the artcileLife cycle analysis of the ionic liquid leaching process of valuable metals from electronic wastes, Safety of 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, the publication is Journal of Cleaner Production (2022), 131357, database is CAplus.

In recent years, ionic liquids have generated a high interest as an ecol. alternative in various processes as a replacement for traditional volatile organic solvents, one of these processes is the leaching of valuable metals from electronic waste or waste from elec. and electronic equipment (WEEE), a very relevant topic these days in the circular economy framework. Therefore, the present work′s objective is to perform a life cycle anal. of the leaching process of valuable metals extracted from these wastes for the ionic liquids 1-butyl-3-methyl-imidazolium hydrogen sulfate (Bmim HSO₄), 1-methylimidazolinium hydrogen sulfate (Hmim HSO₄), 1-butyl-3-methylimidazolium bromide (Bmim Br), 1-butyl-3-methylimidazolium chloride (Bmim Cl), using a “cradle-to-gate” life cycle anal. approach. For the leaching inventory, a 60% ionic liquid concentration at 60 °C was considered, based on previous studies where high copper and cobalt extractions are achieved by using Bmim HSO₄ and Hmim HSO₄, on the other hand, high silver and gold extractions are achieved with Bmim Br and Bmim Cl. When performing the impact anal., it was observed that ionic liquids have a high impact which is attributed to glyoxal, 1-methylimidazole, and finally sulfuric acid. As this impact was considerable, a sensitivity anal. with two options was considered, decreasing the ionic liquid concentration from 60% to 20% at the same temperature of 60 °C. The other option is an assumption of recovering 90% of the ionic liquid from the leaching solution In both options, the decrease in impact related to the main anal. is very considerable. This opens research possibilities on the IL recovery, which is a very tentative option, it is emphasized that the recovery effect can increase or decrease the impact depending on the type of separation process that is used.

Journal of Cleaner Production 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 C13H10F2, Safety of 3-Butyl-1-methyl-1H-imidazol-3-ium chloride.

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

Favalli, Nicholas published the artcileLarge screening of DNA-compatible reaction conditions for Suzuki and Sonogashira cross-coupling reactions and for reverse amide bond formation, Recommanded Product: Imidazo[1,2-a]pyridine-6-boronic acid, the publication is Bioorganic & Medicinal Chemistry (2021), 116206, database is CAplus and MEDLINE.

Progress in DNA-encoded chem. library synthesis and screening crucially relies on the availability of DNA-compatible reactions, which proceed with high yields and excellent purity for a large number of possible building blocks. In the past, exptl. conditions have been presented for the execution of Suzuki and Sonogashira cross-coupling reactions on-DNA. In this article, our aim was to optimize Suzuki and Sonogashira reactions, comparing our results to previously published procedures. We have tested the performance of improved conditions using 606 building blocks (including boronic acids, pinacol boranes and terminal alkynes), achieving >70% conversion for 84% of the tested mols. Moreover, we describe efficient exptl. conditions for the on-DNA synthesis of amide bonds, starting from DNA derivatives carrying a carboxylic acid moiety and 300 primary, secondary and aromatic amines, as amide bonds are frequently found in DNA-encoded chem. libraries thanks to their excellent DNA compatibility.

Bioorganic & Medicinal Chemistry published new progress about 913835-63-9. 913835-63-9 belongs to imidazoles-derivatives, auxiliary class Other Aromatic Heterocyclic,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is Imidazo[1,2-a]pyridine-6-boronic acid, and the molecular formula is C7H7BN2O2, Recommanded Product: Imidazo[1,2-a]pyridine-6-boronic acid.

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

Monzani, Enrico published the artcileMechanistic, Structural, and Spectroscopic Studies on the Catecholase Activity of a Dinuclear Copper Complex by Dioxygen, Formula: C9H9ClN2, the publication is Inorganic Chemistry (1999), 38(23), 5359-5369, database is CAplus.

Dinuclear Cu(II) complexes with the new ligand 1,6-bis[[bis(1-methyl-2-benzimidazolyl)methyl]amino]-n-hexane (EBA) were synthesized, and their reactivity as models for tyrosinase was studied in comparison with that of previously reported dinuclear complexes containing similar aminobis(benzimidazole) donor groups. [Cu₂(EBA)(H₂O)₄]⁴⁺, five-coordinated square pyramidal, with three N donors from the ligand and two H₂O mols. per Cu, can be reversibly converted into the bis(hydroxo) complex [Cu₂(EBA)(OH)₂]²⁺ by addition of base (pK_a1 = 7.77, pK_a2 = 9.01). The latter complex can also be obtained by air oxidation of [Cu₂(EBA)]²⁺ in MeOH. The x-ray structural characterization of [Cu₂(EBA)(OH)₂]²⁺ shows that a double μ-hydroxo bridge is established between the two Cu(II) centers in this complex. The coordination geometry of the coppers is distorted square planar, with two benzimidazole donors and two hydroxo groups in the equatorial plane, and an addnl., lengthened and severely distorted axial interaction (âˆ?.5 Å) with the tertiary amine donor. The small size and the quality of the single crystal as well as the fair loss of crystallinity during data collection required the use of synchrotron radiation at 100 K. [Cu₂(EBA)(OH)₂][PF₆]₂: orthorhombic Pca2₁ space group, a 22.458(2), b 10.728(1), c 19.843(2) Å, R = 0.089. Besides OH^–, the [Cu₂(EBA)(H₂O)₄]⁴⁺ complex binds azide as a bridging ligand, with the μ-1,3 mode. Azide can also displace μ-OH in [Cu₂(EBA)(OH)₂]²⁺ as a bridging ligand. In general, the binding constants indicate that the long alkyl chain of EBA is less easily folded in the structures containing bridging ligands than the m-xylyl residue present in the previously reported dicopper(II) complexes. Electrochem. experiments show that [Cu₂(EBA)(H₂O)₄]⁴⁺ undergoes a single, partially chem. reversible, two-electron reduction to the corresponding dicopper(I) congener at pos. potential values (E⁰‘ = 0.22 V, vs. SCE). Interestingly, however, coordination to azide ion makes the reduction process proceed through two separated 1-electron steps. The catalytic activity of [Cu₂(EBA)(H₂O)₄]⁴⁺ in the oxidation of 3,5-di-tert-butylcatechol was examined in MeOH/aqueous buffer, pH 5.1. The mechanism of the catalytic cycle parallels that of tyrosinase, where no H₂O₂ is released and dioxygen is reduced to H₂O. Low-temperature (-80°) spectroscopic experiments show that oxygenation of the reduced complex [Cu₂(EBA)]²⁺ does not produce a stable dioxygen adduct and leads to a μ-oxodicopper(II) species in a fast reaction.

Inorganic Chemistry 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, Formula: C9H9ClN2.

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

Mylari, Banavara L. published the artcilePotent, orally active aldose reductase inhibitors related to zopolrestat: surrogates for benzothiazole side chain, Computed Properties of 4760-35-4, the publication is Journal of Medicinal Chemistry (1992), 35(3), 457-65, database is CAplus and MEDLINE.

A broad structure-activity program was undertaken in search of effective surrogates for the key benzothiazole side chain of the potent aldose reductase inhibitor, zopolrestat. A structure-driven approach was pursued, which spanned exploration of three areas: (1) 5/6 fused heterocycles, such as benzoxazole, benzothiophene, benzofuran, and imidazopyridine; (2) 5-membered heterocycles, including oxadiazole, oxazole, thiazole, and thiadiazole, with pendant aryl groups, and (3) thioanilide as a formal equivalent of benzothiazole. Several benzoxazole- and 1,2,4-oxadiazole-derived analogs were found to be potent inhibitors of aldose reductase from human placenta and were orally active in preventing sorbitol accumulation in rat sciatic nerve, in an acute test of diabetic complications. Phthalazineacetic acid I was the best of the benzoxazole series ([C₅₀ = 3.2 × 10^-9M); it suppressed accumulation of sorbitol in rat sciatic nerve by 78% at an oral dose of 10 mg/kg. Oxadiazolyl derivative II with IC₅₀ < 1.0 × 10^-8M, caused a 69% reduction in sorbitol accumulation in rat sciatic nerve at an oral dose of 25 mg/kg. The thioanilide side chain features in III proved to be an effective surrogate for benzothiazole. III was highly potent in vitro (IC₅₀ = 5.2 × 10^-8M) but did not show oral activity when tested at 100 mg/kg. Addnl. structure-activity relationships encompassing a variety of heterocyclic side chains are discussed.

Journal of Medicinal Chemistry 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, Computed Properties of 4760-35-4.

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

Amrutkar, Sunil V. published the artcileSynthesis and antifungal activity of 1-alkyl/H-2-[(4-alkyl/aryl-piperazin-1-yl)-methyl]-benzimidazole derivatives, Computed Properties of 4760-35-4, the publication is International Journal of Pharmacy and Pharmaceutical Sciences (2010), 2(2), 84-92, database is CAplus.

Substituted benzimidazoles were condensed with various substituted piperazine to synthesize a library of benzimidazole derivatives Thus, 2-(chloromethyl)benzimidazoles were prepared from appropriate 1,2-phenylenediamines by boiling for 8 h with ClCH₂CO₂H in concentrated HCl. Subsequent condensation with piperazines was achieved by boiling in dioxane with Et₃N as base. The antifungal activity of the synthesized compounds was studied by disk diffusion against Candida albicans using ketoconazole as reference standard The compound showed antifungal activity comparable to ketoconazole.

International Journal of Pharmacy and Pharmaceutical Sciences 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, Computed Properties of 4760-35-4.

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