Author: Jessica.F

The author of 《N-Heterocyclic Olefin-Ligated Palladium(II) Complexes as Pre-Catalysts for Buchwald-Hartwig Aminations》 were Watson, Ian C.; Schumann, Andre; Yu, Haoyang; Davy, Emma C.; McDonald, Robert; Ferguson, Michael J.; Hering-Junghans, Christian; Rivard, Eric. And the article was published in Chemistry – A European Journal in 2019. Reference of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride The author mentioned the following in the article:

New N-heterocyclic olefins (NHOs) are described with functionalization on the ligand heterocyclic backbone and terminal alkylidene positions. Various PdII-NHO complexes I (Ar = 2,6-iPr2C6H3; L = 3-chloropyridine; R = Me, RR =9,10-acenaphthylenediyl) and were prepared by cleavage of chloro-bridged dimers (I-L)2 with pyridine ligand; the complexes were evaluated as pre-catalysts in Buchwald-Hartwig aminations. Vinylogous complex [(Me2Dipp2Im-2-CH:CHCH2Pd)Cl2L] (13) was prepared by palladation of 1,3-Dipp2-4,5-dimethyl-2-(2-propenylidene)imidazoline. The most active system for catalytic C-N bond formation between hindered arylamine and haloarene substrates was accessed by combining a backbone methylated NHO with [Pd(cinnamyl)Cl]2 in the presence of NaOtBu as a base. In these active systems evidence suggests that catalysis is mediated by colloidal palladium metal, highlighting a different coordination ability of NHOs in comparison with commonly used N-heterocyclic carbene co-ligands.1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0Reference of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride) was used in this study.

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.Reference of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chlorideIn addition, it can efficiently catalyze the Suzuki-Miyaura coupling of aryl chlorides with aryl boronic acids.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wu, Chung-Yeh; Horibe, Takahiro; Jacobsen, Christian Borch; Toste, F. Dean published an article on January 22 ,2015. The article was titled 《Stable gold(III) catalysts by oxidative addition of a carbon-carbon bond》, and you may find the article in Nature (London, United Kingdom).Reference of Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I) The information in the text is summarized as follows:

A gold bis(diisopropylphenyl)imidazolidinylidene complex underwent oxidative addition with biphenylene to yield an N-heterocyclic carbene gold(III) complex I (R = i-Pr); in the presence of silver triflate or hexafluoroantimonate, I generated stable Lewis acidic gold(III) complexes which act as oxophilic Lewis acid catalysts for regioselective Michael addition reactions of enals and a trienal and regioselective reduction and stereoselective Diels-Alder reactions of dienals. In addition an allenyl enal underwent a diastereoselective [2 + 2] cycloaddition reaction in the presence of I and silver hexafluoroantimonate. The origin of the regioselectivity and catalytic activity was elucidated by X-ray crystallog. anal. of an isolated cationic Au(III) cinnamaldehyde complex; the structures of I and of a DMF complex of the Au(III) cation derived from I were also determined by X-ray crystallog. In the part of experimental materials, we found many familiar compounds, such as Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)(cas: 852445-84-2Reference of Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I))

Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)(cas: 852445-84-2) belongs to imidazoles.Imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.
However, the application of imidazoles is not limited to the field of peptides and peptidomimetics. Reference of Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1996,Silverman, B. D.; Platt, Daniel. E. published 《Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition》.Journal of Medicinal Chemistry published the findings.Quality Control of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

3D-QSAR procedures utilize descriptors that characterize mol. shape and charge distributions responsible for the steric and electrostatic nonbonding interactions intimately involved in ligand-receptor binding. Comparative mol. moment anal. (CoMMA) utilizes moments of the mol. mass and charge distributions up to and including second order in the development of mol. similarity descriptors. As a consequence, two Cartesian reference frames are then defined with respect to each mol. structure. One frame is the principal inertial axes calculated with respect to the center-of-mass. For neutrally charged mol. species, the other reference frame is the principal quadrupolar axes calculated with respect to the mol. “”center-of-dipole””. QSAR descriptors include quantities that characterize shape and charge independently as well as quantities that characterize their relationship. 3D-QSAR partial least squares (PLS) cross-validation procedures are utilized to predict the activity of several training sets of mols. previously investigated. This is the first time that mol. electrostatic quadrupolar moments have been utilized in a 3D-QSAR anal., and it is shown that descriptors involving the quadrupolar moments and related quantities are required for the significant cross-validated predictive r2’s obtained. CoMMA requires no superposition step, i.e., no step requiring a comparison between two mols. at any stage of the 3D-QSAR calculation2-Bromo-1H-imidazole(cas: 16681-56-4Quality Control of 2-Bromo-1H-imidazole) was used in this study.

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Quality Control of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Journal of Physical Chemistry B included an article by Amoruso, Giordano; Taylor, Victoria C. A.; Duchi, Marta; Goodband, Emma; Oliver, Thomas A. A.. Recommanded Product: 1-Methyl-1H-imidazole. The article was titled 《Following Bimolecular Excited-State Proton Transfer between Hydroxycoumarin and Imidazole Derivatives》. The information in the text is summarized as follows:

The ultrafast dynamics of a bimol. excited-state proton transfer (ESPT) reaction between the photoacid 7-hydroxy-4-(trifluoromethyl)-1-coumarin (CouOH) and 1-methylimidazole (MI) base in aprotic chloroform-d1 solution were investigated using ultrafast transient IR (TRIR) and transient absorption (TA) spectroscopies. The excited-state lifetime of the photoacid in solution is relatively short (52 ps), which at the millimolar photoacid and base concentrations used in our study precludes any diffusion-controlled bimol. ESPT reactions. This allows the prompt ESPT reaction between hydrogen-bonded CouOH and MI mols. to be studied in isolation and the “”contact”” ESPT dynamics to be unambiguously determined Our time-resolved studies reveal that ultrafast ESPT from the CouOH moiety to hydrogen-bonded MI mols. occurs within ∼1 ps, tracked by unequivocal spectroscopic signatures of CouO-* photoproducts that are formed in tandem with HMI+. Some of the ESPT photoproducts subsequently π-stack to form exciplexes on a ∼35 ps time scale, minimizing the attractive Coulombic forces between the oppositely charged aromatic mols. For the concentrations of CouOH and MI used in our study (up to 8 mM), we saw no evidence for excited-state tautomerization of coumarin anions. After reading the article, we found that the author used 1-Methyl-1H-imidazole(cas: 616-47-7Recommanded Product: 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.Recommanded Product: 1-Methyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Journal of Molecular Liquids included an article by Kaneko, Kazuyoshi; Mori, Takahiro; Hattori, Shuji; Takekiyo, Takahiro; Masuda, Yuichi; Yoshimura, Yukihiro; Shimizu, Akio. COA of Formula: C8H15BF4N2. The article was titled 《Dynamic and static properties of mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate and alcohols with various alkyl chain lengths》. The information in the text is summarized as follows:

The dynamic and static properties of mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) and alcs. with various alkyl chain lengths were investigated. For alc. concentrations of 20 mol% or less, where the alc./ionic liquid system maintains a nano-heterogeneous structure, the self-diffusion coefficient and the chem. shift of anions and cations in the alc./[BMIM][BF4] system were not dependent on the alkyl chain length of the alc., but were almost coincident with each other when comparing the same solvent concentration This indicates that the solution structure of pure [BMIM][BF4] was almost maintained in the alc./ionic liquid system. Moreover, alc. having short alkyl chain length and water moved clearly faster than the IL, but the movement of alc. having long alkyl chain length moved close to that of the IL suggesting that the alcs. may not be able to move significantly in the IL. In the part of experimental materials, we found many familiar compounds, such as 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

The author of 《Electronic States of Acetic Acid in a Binary Mixture of Acetic Acid and 1-Methylimidazole Depend on the Environment》 were Yoshimura, Noriko; Takahashi, Osamu; Oura, Masaki; Horikawa, Yuka. And the article was published in Journal of Physical Chemistry B in 2019. Reference of 1-Methyl-1H-imidazole The author mentioned the following in the article:

The unique characteristics of an acetic acid/1-methylimidazole (1-MI) mixture, showing higher elec. conductivity than either neat acetic acid or neat 1-MI, yet consisting of elec. neutral mols., are reported. We have applied soft X-ray spectroscopy to reveal the electronic states of acetic acid in the acetic acid/1-MI mixture at various mole fractions of acetic acid (χHOAc). The results show that the amount of acetic acid monomer increases in the region of especially high elec. conductivity and the amount of complex of acetic acid and 1-MI formed by sharing MOs increases in the low elec. conductivity region. There is a little amount of acetic acid monomer in the low elec. conductivity region because the complex inhibits acetic acid from creating its monomer. These results suggest the possibility that the acetic acid monomer is related to elec. conduction. In the experiment, the researchers used many compounds, for example, 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

The author of 《Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-ones》 were Xing, Qi; Chan, Chun-Ming; Yeung, Yiu-Wai; Yu, Wing-Yiu. And the article was published in Journal of the American Chemical Society in 2019. Formula: C7H6N4O The author mentioned the following in the article:

We report the Ru-catalyzed enantioselective annulation of 1,4,2-dioxazol-5-ones to furnish γ-lactams in up to 97% yield and 98% ee via intramol. carbonylnitrene C-H insertion. By employing chiral diphenylethylene diamine (dpen) as ligands bearing electron-withdrawing arylsulfonyl substituents, the reactions occur with remarkable chemo- and enantioselectivities; the competing Curtius-type rearrangement was largely suppressed. Enantioselective nitrene insertion to allylic/propargylic C-H bonds was also achieved with remarkable tolerance to the C=C and CC bonds. The experimental process involved the reaction of Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Formula: C7H6N4O)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.Formula: C7H6N4O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Experimental and computational investigation of methane hydrate inhibition in the presence of amino acids and ionic liquids》 were Lee, Dongyoung; Go, Woojin; Seo, Yongwon. And the article was published in Energy (Oxford, United Kingdom) in 2019. Category: imidazoles-derivatives The author mentioned the following in the article:

Amino acids (glycine and alanine) and ionic liquids ([BMIM][BF4] and [BMIM][I]) were examined for their inhibition elects on CH4 hydrates with exptl. and computational approaches. Both amino acids and ionic liquids functioned well as thermodn. hydrate inhibitors, by shifting equilibrium curves of CH4 hydrates toward harsh conditions. However, powder X-ray diffraction patterns indicated that amino acids and ionic liquids did not alect the hydrate structure because they were not included in the hydrate cages due to their large mol. size. Gas uptake measurements showed that the conversion of water into gas hydrates and the formation rates of CH4 hydrate were significantly influenced by inhibitors. D. functional theory calculations indicated that [BMIM][BF4] had a larger potential than glycine to inhibit gas hydrate formation by giving a more neg. interaction energy between a cage and an inhibitor mol. The time-dependent Raman spectra collected during CH4 hydrate formation demonstrated that [BMIM][BF4] hindered CH4 mols. from occupying small (512) cages, whereas glycine had a strong influence on large (51262) cages of sI hydrates. The exptl. and computational results provide a better understanding of inhibition mechanisms of gas hydrates and thus can contribute to the improved control of hydrate formation in oil and gas pipelines. The experimental part of the paper was very detailed, including the reaction process of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Category: imidazoles-derivatives)

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. Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Position-specific 15N isotope analysis in organic molecules: A high-precision 15N NMR method to determine the intramolecular 15N isotope composition and fractionation at natural abundance》 were Joubert, Valentin; Silvestre, Virginie; Lelievre, Maxime; Ladroue, Virginie; Besacier, Fabrice; Akoka, Serge; Remaud, Gerald S.. And the article was published in Magnetic Resonance in Chemistry in 2019. Application of 616-47-7 The author mentioned the following in the article:

The position-specific 15N isotope content in organic mols., at natural abundance, is for the first time determined by using a quant. methodol. based on 15N NMR spectrometry. 15N NMR spectra are obtained by using an adiabatic “”Full-Spectrum”” INEPT sequence in order to make possible 15N NMR experiments with a high signal-to-noise ratio (>500), to reach a precision with a standard deviation below 1% (0.1%). This level of precision is required for observing small changes in 15N content associated to 15N isotope effects. As an illustration, the measurement of an isotopic enrichment factor ε for each 15N isotopomer is presented for 1-methylimidazole induced during a separation process on a silica column. The precision expressed as the long-term repeatability of the methodol. is good enough to evaluate small changes in the 15N isotope contents for a given isotopomer. As observed for 13C, inverse and normal 15N isotope effects occur concomitantly, giving access to new information on the origin of the 15N isotope effects, not detectable by other techniques such as isotope ratio measured by Mass Spectrometry for which bulk (average) values are obtained. After reading the article, we found that the author used 1-Methyl-1H-imidazole(cas: 616-47-7Application of 616-47-7)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Application of 616-47-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Controlled Synthesis of Co@N-Doped Carbon by Pyrolysis of ZIF with 2-Aminobenzimidazole Ligand for Enhancing Oxygen Reduction Reaction and the Application in Zn-Air Battery》 was published in ACS Applied Materials & Interfaces in 2020. These research results belong to Zhang, Minghui; Zhang, Erhuan; Hu, Chunyan; Zhao, Yong; Zhang, Han-ming; Zhang, Yijie; Ji, Muwei; Yu, Jiali; Cong, Guangtao; Liu, Huichao; Zhang, Jiatao; Zhu, Caizhen; Xu, Jian. Category: imidazoles-derivatives The article mentions the following:

The Co/N-doped carbon material, as an important electrocatalytic material, has been attracted intense interest in ORR and Zn-air battery. Here, we report an efficient Co@N-doped carbon catalyst (Co@N-C-1) obtained by pyrolysis of ZIF precursor with 2-aminobenzimidazole. The introduction of 2-aminobenzimidazole results in the formation of hierarchical meso/microporous structure of the as-prepared Co@N-C-1, effectively avoiding the aggregation of Co nanoparticles during pyrolysis and the higher N content, which contributes to enhance the ORR electrocatalytic activities. The obtained Co@N-C-1 exhibits remarkable ORR performance with a half-wave potential of 0.938 V vs RHE in alk. media. As the air catalyst of zinc-air batteries, Co@N-C-1 displays 1.439 V of open-circuit voltage and 1413.3 Wh·kg-1 of energy d. In the part of experimental materials, we found many familiar compounds, such as 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Category: imidazoles-derivatives)

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.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem