Month: October 2022

In 2020,Advances in Inorganic Chemistry included an article by Ott, Ingo. Product Details of 258278-25-0. The article was titled 《Metal N-heterocyclic carbene complexes in medicinal chemistry》. The information in the text is summarized as follows:

A review. Based on their strong s-donor properties N-heterocyclic carbene (NHC) ligands can form stable complexes with many transition metals. Numerous applications of metal NHC complexes have been developed in the field of chem. catalysis. The option to generate very stable complexes as well as the convenient access to a high number of structurally diverse NHC ligands have made them also attractive target compounds in inorganic medicinal chem. A fast increasing number of reports demonstrates that metal NHC complexes provide an excellent scaffold for metallodrug design and many examples have been studied pharmacol. in great detail. This chapter focuses on metal NHC complexes containing the selected metals ruthenium, rhodium, silver, iridium and gold. In the experiment, the researchers used many compounds, for example, 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0Product Details of 258278-25-0)

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0) has been employed in an efficient, one-pot synthesis of N-heterocyclic carbene-allylpalladium complexes.Product Details of 258278-25-0In addition, it can efficiently catalyze the Suzuki-Miyaura coupling of aryl chlorides with aryl boronic acids.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Inorganic Chemistry Frontiers included an article by Das, Rajesh; Parihar, Vaibhav; Nagaraja, C. M.. COA of Formula: C27H39ClN2. The article was titled 《Strategic design of a bifunctional Ag(I)-grafted NHC-MOF for efficient chemical fixation of CO2 from a dilute gas under ambient conditions》. The information in the text is summarized as follows:

The chem. fixation of carbon dioxide into valuable products constitutes a promising step toward reducing the atm. CO2 concentration Consequently, herein we report the strategic design of a bifunctional catalyst by grafting catalytically active Ag(I) ions onto N-heterocyclic carbene (NHC) sites in a MOF for efficient chem. fixation of CO2 from a dilute gas to oxazolidinones, bio-relevant commodity chems. Indeed, Ag(I)@MOF-NHC demonstrated excellent catalytic activity for efficient fixation of CO2 from a dilute gas (CO2 : N2 = 13 : 87%) with alkynes to afford valuable chems., oxazolidinones, under RT and atm. pressure (balloon) conditions. The superior activity of the Ag(I) anchored MOF over the individual (AgNO3 and MOF-NHC) components has been ascribed to the synergistic effect between the CO2-philic NHC and alkynophilic Ag(I) sites exposed in the 1D channels of the MOF. Furthermore, the Ag(I) anchored MOF showed high recyclability without significant loss of catalytic activity and structural rigidity. Overall, this is a unique demonstration of the utilization of dilute CO2 under environmentally friendly mild conditions and can pave the way for the development of efficient catalytic systems for sustainable utilization of CO2 from dilute gases. The results came from multiple reactions, including the reaction of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0COA of Formula: C27H39ClN2)

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0) has been employed in an efficient, one-pot synthesis of N-heterocyclic carbene-allylpalladium complexes.COA of Formula: C27H39ClN2In addition, it can efficiently catalyze the Suzuki-Miyaura coupling of aryl chlorides with aryl boronic acids.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Minrovic, Bradley M.; Jung, David; Melander, Roberta J.; Melander, Christian published 《New Class of Adjuvants Enables Lower Dosing of Colistin Against Acinetobacter baumannii》.ACS Infectious Diseases published the findings.Application In Synthesis of 1H-Imidazol-2-amine The information in the text is summarized as follows:

Antibiotic resistance has become increasingly prevalent over the past few decades, and this combined with a dearth in the development of new classes of antibiotics to treat multidrug resistant Gram-neg. infections has led to a significant global health problem and the increased usage of colistin as the last resort antibiotic. Colistin, however, presents dose dependent toxicity in the clinic. One potential approach to combating this problem is the use of an antibiotic adjuvant, a compound that is nontoxic to the bacteria that enhances the potency of colistin and ultimately allows for reducing dosing. Herein, we present a new urea-containing class of 2-aminoimidazole-based adjuvants that potentiates colistin activity against colistin-sensitive Acinetobacter baumannii. Lead compounds enabled 1000-fold reduction in the min. inhibitory concentration of colistin in vitro and showed efficacy in a Galleria mellonella infection model, representing the first step toward validating the potential of employing these adjuvants to lower colistin dosage. After reading the article, we found that the author used 1H-Imidazol-2-amine(cas: 7720-39-0Application In Synthesis of 1H-Imidazol-2-amine)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Application In Synthesis of 1H-Imidazol-2-amine

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Journal of Molecular Liquids included an article by Aghaie, Mahsa; Rezaei, Nima; Zendehboudi, Sohrab. Computed Properties of C8H15BF4N2. The article was titled 《Assessment of carbon dioxide solubility in ionic liquid/toluene/water systems by extended PR and PC-SAFT EOSs: Carbon capture implication》. The information in the text is summarized as follows:

Recently, there has been a growing interest in CO2 capture using ionic liquids (ILs). To determine the CO2 absorption potential of ILs and their selectivity in the presence of other gaseous components in the mixture, the solubility of ILs at various operating conditions and the influence of impurities/additives such as water and toluene should be evaluated. Carbon capture capacity of the ILs can be examined using various methods such as experiments, thermodn. approaches including Equations of State (EOSs), and mol.-based modeling. In this research work, the extended Peng-Robinson (PR) and Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) EOSs are utilized to assess the solubility and selectivity of CO2 in ILs through comparing the modeling results with exptl. data. PC-SAFT and PR parameters are determined by employing the exptl. d. data. Modeling results reveal that the solubility values estimated by the PC-SAFT due to considering the association effects have a lower deviation (or a better performance) than PR EOS based on the magnitudes of Absolute Average Deviation (AAD %). The AAD (%) for [bmim][BF4], [bmim][PF6], [bmim][Tf2N], [hmim][Tf2N], [hmim][FAP], and [hmim][FAP] are calculated using PR EOS and PC-SAFT EOS, which are 2-5.7% and 3-7.5%, resp. Furthermore, ternary systems of CO2 + ILs + water and CO2 + ILs + toluene are modeled to determine the effect of water and toluene on the gas solubility in ILs and viscosity of ILs with PC-SAFT EOS. Based on the results, low concentrations of water (0.1 wt%) have a negligible influence on the CO2 solubility in ILs. However, with increasing the water concentration, the solubility of water reduces significantly. On the other hand, the viscosity of ILs is reduced with increasing the water concentration Viscosity reduction in the hydrophilic ILs is significant. It seems promising to add water up to 10 wt% to hydrophilic ILs, since a decrease in the viscosity to an amount close to the viscosity of water and a decrease in solubility by 9% are experienced. Finally, the selectivity of [hmim][Tf2N] in separation of CO2 from mixtures containing H2S, SO2, CH4, and H2 are reported. Based on the results, [hmim][Tf2N] is not appropriate for separation of CO2 from streams with a high concentration of H2S and SO2 gases. In the experimental materials used by the author, we found 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Computed Properties of C8H15BF4N2)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. Computed Properties of C8H15BF4N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Gas-Phase Binding Energies and Dissociation Dynamics of 1-Alkyl-3-Methylimidazolium Tetrafluoroborate Ionic Liquid Clusters》 was written by Roy, H. A.; Hamlow, L. A.; Rodgers, M. T.. COA of Formula: C8H15BF4N2 And the article was included in Journal of Physical Chemistry A in 2020. The article conveys some information:

Ionic liquids (ILs) have become increasingly popular due to their useful and unique properties, yet there are still many unanswered questions regarding their fundamental interactions. In particular, details regarding the nature and strength of the intrinsic cation-anion interactions and how they influence the macroscopic properties of ILs are still largely unknown. Elucidating the mol.-level details of these interactions is essential to the development of better models for describing ILs and enabling the purposeful design of ILs with properties tailored for specific applications. Current uses of ILs are widespread and diverse and include applications for energy storage, electrochem., designer/green solvents, separations, and space propulsion. To advance the understanding of the energetics, conformations, and dynamics of gas-phase IL clustering relevant to space propulsion, threshold collision-induced dissociation approaches are used to measure the bond dissociation energies (BDEs) of the 2:1 clusters of 1-alkyl-3-methylimidazolium cations and tetrafluoroborate, [2Cnmim:BF4]+. The cation, [Cnmim]+, is varied across the series, 1-ethyl-3-methylimidazolium [C2mim]+, 1-butyl-3-methylimidazolium [C4mim]+, 1-hexyl-3-methylimidazolium [C6mim]+, and 1-octyl-3-methylimidazolium [C8mim]+, to examine the structural and energetic effects of the size of the 1-alkyl substituent on binding. Complementary electronic structure calculations are performed to determine the structures and energetics of the [Cnmim]+ and [BF4]- ions and their binding preferences in the (Cnmim:BF4) ion pairs and [2Cnmim:BF4]+ clusters. Several levels of theory, B3LYP, B3LYP-GD3BJ, and M06-2X, using the 6-311+G(d,p) basis set for geometry optimizations and frequency analyses and the 6-311+G(2d,2p) basis set for energetics, are benchmarked to examine their abilities to properly describe the nature of the binding interactions and to reproduce the measured BDEs. The modest structural variation among these [Cnmim]+ cations produces only minor structural changes and variation in the measured BDEs of the [2Cnmim:BF4]+ clusters. Present findings indicate that the dominant cation-anion interactions involve the 3-methylimidazolium moieties and that these clusters are sufficiently small that differences in packing effects associated with the variable length of the 1-alkyl substituents are not yet significant. The experimental process involved the reaction of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6COA of Formula: C8H15BF4N2)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. COA of Formula: C8H15BF4N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Spectroscopic and Photo-Physical Properties of Near-IR Laser Dye in Novel Benign Green Solvents》 was written by Al-Aqmar, Dalal M.; Al-Shamiri, Hamdan A. S.; Al-Shareef, Jamal M.; Abou Kana, Maram T. H.; Kandel, Hamed M.. HPLC of Formula: 174501-65-6 And the article was included in Journal of Fluorescence in 2020. The article conveys some information:

IR-792 as near IR (NIR) laser dye was dissolved with different concentrations in two types of ionic liquids (ILs) of different anion and cation, 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide (EMIM TFSI) & 1-Butyl-3-methylimidazolium tetrafluoroborate (BMIM BF4), as the benign green solvent and in methanol (MeOH) as a standard solvent. The behavior of fluorescence of IR-792 dye was studied. The fluorescence of IR-792 dissolved in the ILs was heavily compared to organic solvent. Some photo-phys. parameters of IR-792 were calculated Mainly, IR-792 had a very low quantum yield of fluorescence with high intersystem crossing rate & fluorescence lifetime in picosecond range. Optical absorption and behavior of fluorescence for the rigorously the purified imidazolium ILs in the neat condition and effect of IR-792 on their fluorescence have been examined The emission behavior of IR-792 in green solvents was independent upon the wavelength of excitation, while the emission behavior of green solvents dependent upon the wavelength of excitation whether in pure state or with NIR laser dye. At most, the intensity of fluorescence of ILs is dependent upon dye concentration In addition to this study using 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, there are many other studies that have used 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6HPLC of Formula: 174501-65-6) was used in this study.

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. HPLC of Formula: 174501-65-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Yadav, Priyanka; Kakati, Praachi; Singh, Preeti; Awasthi, Satish K. published their research in Applied Catalysis, A: General in 2021. The article was titled 《Application of sulfonic acid fabricated cobalt ferrite nanoparticles as effective magnetic nanocatalyst for green and facile synthesis of benzimidazoles》.Product Details of 934-32-7 The article contains the following contents:

This work represents the design and synthesis of efficient sulfonated cobalt ferrite solid acid catalyst. The synthesized solid acid green catalyst was characterized using various techniques viz. FT-IR, powder XRD, SEM, TEM and VSM. The obtained catalyst was used to synthesize biol. significant 2-substituted benzimidazole derivatives I (R = Ph, H, NH2, pyridin-3-yl) by condensation between o-phenylenediamine with various aromatic, aliphatic and heterocyclic aldehydes RCHO. High yield (up to 98%), short reaction time (10-25 min), mild reaction condition, wide functional group tolerance, easy work-up procedure and excellent values of green chem. metrices such as lower E factor (0.126), high RME value (88.83%), carbon efficiency (100%) and high atom economy (AE) value (90.65%), are some salient features of the present catalytic system. Moreover, the catalyst recovery by simply using an external magnet and catalyst reusability up to 7 times without any significant loss in catalytic efficiency are some addnl. remarkable features of the current protocol. In addition to this study using 1H-Benzo[d]imidazol-2-amine, there are many other studies that have used 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Product Details of 934-32-7) was used in this study.

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.Product Details of 934-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Yue, Liang; Amirkhosravi, Mehrad; Ke, Kai; Gray, Thomas G.; Manas-Zloczower, Ica published their research in ACS Applied Materials & Interfaces in 2021. The article was titled 《Cellulose Nanocrystals: Accelerator and Reinforcing Filler for Epoxy Vitrimerization》.Name: 1-Methyl-1H-imidazole The article contains the following contents:

The novel vitrimerization concept of converting permanently crosslinked networks of thermoset polymers into dynamic exchangeable networks often relies on transesterification reactions. Transesterification exchange reactions, for example, in epoxy vitrimers, are usually contingent on equivalent ratios of hydroxyl to ester groups and large amounts of catalysts to achieve proper dynamic exchange capability. In general, postconsumer epoxy cured with anhydrides contains very few hydroxyl groups in the network, and it is challenging to convert it into efficient dynamic networks by vitrimerization. Here, we demonstrate that introducing cellulose nanocrystals as feedstock of external hydroxyl groups in the mechanochem. vitrimerization process could improve the exchange reaction rate as well as the thermomech. properties of the vitrimerized epoxy. This work offers an effective way to recycle and reprocess postconsumer epoxy/anhydride waste with inherent low ratios of hydroxyl to ester groups into higher value-added vitrimer nanocomposites.1-Methyl-1H-imidazole(cas: 616-47-7Name: 1-Methyl-1H-imidazole) was used in this study.

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.Name: 1-Methyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Chesnokov, V. V.; Shevchenko, M. A.; Soliev, S. B.; Tafeenko, V. A.; Chernyshev, V. M. published their research in Russian Chemical Bulletin in 2021. The article was titled 《Complexes LNi(Cp)X with alkylamino-substituted N-heterocyclic carbene ligands (L) and their catalytic activity in the Suzuki-Miyaura reaction》.SDS of cas: 141556-45-8 The article contains the following contents:

New nickel(II) complexes of the general formula LNi(Cp)X (L is an N-heterocyclic carbene (NHC) ligand of the 1,2,4-triazole or imidazole series; Cp is the cyclopentadienyl anion; X = Cl, I) are reported. In these complexes, the NHC ligands (L) contain an alkylamino group at the 3 or 4 position of the heterocycle. The synthesized complexes and structurally similar complexes without an alkylamino group were tested for catalytic activity in the Suzuki-Miyaura reaction. The introduction of an alkylamino group into the NHC ligand leads to the enhancement of the catalytic activity of complexes with N,N’-diaryl-substituted NHC ligands of the imidazole series and a decrease in the activity of the complexes with N,N’-dialkyl-substituted NHC ligands of the 1,2,4-triazole series. In the experimental materials used by the author, we found 1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8SDS of cas: 141556-45-8)

1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8) is a ligand for arylation of aldehydes and for carbene catalyzed intermolecular arylation of C-H bonds. It is used as a phosphine-free ligand in various metal-catalyzed coupling reactions, often with advantageous results in difficult cases.SDS of cas: 141556-45-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Hennemann, Bruno L.; Moleta, Guilherme S.; Fuchs, Ana L.; Villetti, Marcos A.; Kuhn, Bruna L.; Rampelotto, Camila R.; Paz, Alisson V.; de Bona da Silva, Cristiane; Frizzo, Clarissa P. published an article in 2021. The article was titled 《Synergic effects of ultrasound and ionic liquids on fluconazole emulsion》, and you may find the article in Ultrasonics Sonochemistry.Reference of 1-Methyl-1H-imidazole The information in the text is summarized as follows:

The aim of this work was to evaluate the influence of US on the properties of the fluconazole emulsions prepared using imidazolium-based ILs ([Cn C1i.m.]Br). The effects of the preparation method (mech. stirring or US), US amplitude, alkyl chain length (of [C12C1i.m.]Br or [C16C1i.m.]Br), and IL concentration on the physicochem. properties were evaluated. Properties such as droplet size, span index, morphol., viscosity encapsulation efficiency, and drug release profile were determined The results showed that US-prepared emulsions had a smaller droplet size and smaller polydispersity (Span) than those prepared by mech. stirring. Addnl., the results showed that emulsions prepared with [C16C1i.m.]Br and US had spherical shapes and increased stability compared to emulsions prepared by MS, and also depended on the IL concentration The emulsion prepared by US at 40% amplitude had increased encapsulation efficiency. US provided a decrease in the viscosity of emulsions containing [C12C1i.m.]Br; however, in general, all emulsions had viscosity close to that of water. Emulsions containing [C16C1i.m.]Br had the lowest viscosities of all the emulsions. The emulsions containing the IL [C16C1i.m.]Br had more controlled release and a lower cumulative percentage of drug release. The IL concentration required to prepare these emulsions was lower than the amount of conventional surfactant required, which highlights the potential synergic effects of ILs and US in preparing emulsions of hydrophobic drugs. In the part of experimental materials, we found many familiar compounds, such as 1-Methyl-1H-imidazole(cas: 616-47-7Reference of 1-Methyl-1H-imidazole)

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.Reference of 1-Methyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem