Month: October 2022

《Cytotoxic effects of gold(I) complexes against colon, cervical and osteo carcinoma cell lines: a mechanistic approach》 was published in New Journal of Chemistry in 2019. These research results belong to Sulaiman, Adam A. A.; Kalia, Namarta; Bhatia, Gaurav; Kaur, Manpreet; Fettouhi, Mohammed; Altaf, Muhammad; Baig, Nadeem; Kawde, Abdel-Nasser; Isab, Anvarhusein A.. SDS of cas: 852445-84-2 The article mentions the following:

Water-soluble gold(I) complexes, [Au(Ipr)(L)]PF6 where L = thiourea (Tu) 1 and N,N’-dimethylthiourea (Me2Tu) 2, were synthesized from the parent 1,3-bis(2,6-di-isopropylphenyl)imidazol-2-ylidenechloridogold(I) [(Ipr)AuCl] (0). The complexes (0-2) were fully characterized using elemental anal. (EA), FT-IR, 1H and 13C NMR spectroscopy. Single crystal X-ray diffraction anal. shows that both complexes have a near linear geometry. We investigated the in vitro cytotoxic activity of the complexes and cisplatin using an MTT assay against human osteosarcoma (MG-63), colon adenocarcinoma (HCT15), and cervical cancer (HeLa) cell lines. The IC50 values showed that the complexes 1 and 2 exhibit cytotoxicity higher than that of cisplatin against all cancer cell lines. The complex 2 exhibited cytotoxicity less than that of cisplatin against HeLa. The interaction of the complexes with amino acids was tested electrochem. in a phosphate buffer aqueous solution using cyclic voltammetry. Complex 1 interacted more with L-tryptophan than complex 2. The interaction of both complexes with L-tryptophan resulted in the reduction in peak height and peak current of L-tryptophan. Studying the expression levels of caspase-3 and caspase-9 genes provided insight into the cell death mechanism. The treatment of the HCT-15 and HeLa cells with complex 1 resulted in the induction of apoptosis and a significant up-regulation in the expression of both caspase-3 and 9. No significant deviation was noted in the expression of the MG-63 cells treated with complex 1. In addition to this study using Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I), there are many other studies that have used Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)(cas: 852445-84-2SDS of cas: 852445-84-2) was used in this study.

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. SDS of cas: 852445-84-2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Low-Valent Group 14 Phosphinidenide Complexes [({SIDipp}P)2M] Exhibit P-M pπ-pπ Interaction (M=Ge, Sn, Pb)》 was published in Chemistry – A European Journal in 2020. These research results belong to Balmer, Markus; Franzke, Yannick J.; Weigend, Florian; von Haenisch, Carsten. Computed Properties of C27H39ClN2 The article mentions the following:

Herein, the synthesis of new low-valent Group 14 phosphinidenide complexes [({SIDipp}P)2M] exhibiting P-M pπ-pπ interactions (SIDipp = 1,3-bis(2,6-diisopropylphenyl)-imidazolidin-2-ylidene, M = Ge, Sn, Pb), is presented. These compounds were studied by structural, spectroscopic, and quantum-chem. methods. Furthermore, the monosubstituted compounds [(SIDippP)MX]2 (M = Sn, X=Cl; M = Pb, X = Br) are presented, which show dimeric structures instead of multiple bonding interaction. 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: 258278-25-0Computed Properties of C27H39ClN2)

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0) may be used as a precursor to the free carbene 1,3-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene, and also used as an in situ formed catalyst in a variety of reactions, e.g. amination, Heck coupling reaction, the ring-opening metathesis polymerization (ROMP), hydrogenation.Computed Properties of C27H39ClN2In addition, it can efficiently catalyze the Suzuki-Miyaura coupling of aryl chlorides with aryl boronic acids.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Ultrafast Hydrogen Bond Exchanging between Water and Anions in Concentrated Ionic Liquid Aqueous Solutions》 was written by Wei, Qianshun; Zhang, Miaomiao; Zhou, Dexia; Li, Xiaoqian; Bian, Hongtao; Fang, Yu. Synthetic Route of C8H15BF4N2This research focused onultrafast hydrogen bond exchange water anion ionic liquid. The article conveys some information:

The mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM]BF4) ionic liquids (ILs) and water as a function of IL concentrations have been investigated by Fourier transform IR (FTIR) spectroscopy and ultrafast two-dimensional IR (2D IR) spectroscopy. FTIR spectra of the mixtures resolve two different types of water species, one interacting with the BF4- anions and the other associated with bulklike water mols. These two water species are in a dynamic equilibrium through forming different hydrogen bonding configurations which are separated by more than 100 cm-1 in the IR spectra. The structural dynamics of the IL mixtures are further revealed by monitoring the vibrational relaxation dynamics of the OD stretching group of interfacial water mols. hydrogen bonded to BF4- anions. With the increase of the IL bulk concentration, vibrational population and rotational dynamics of the interfacial water mols. can be described by a biexponential decay function and are strongly dependent on the IL concentrations Furthermore, the ultrafast hydrogen bond exchanging between water and BF4- anions in the ILs are also measured using 2D IR spectroscopy. The average hydrogen bond exchanging rate is determined to be 19 ± 4 ps, which is around 3 times slower than that in the NaBF4 electrolyte aqueous solution The much slower hydrogen bond exchanging rate indicates that the local structure of ILs and water mols. are strongly mediated by the steric effect of the cationic group in the ILs, which is proposed to be responsible for the formation of the heterogeneous structure in the IL mixtures By using SCN- as the anionic probe, the structural inhomogeneity in the IL solutions can be confirmed from the distinct rotational dynamics of the SCN-, which is segregated from the rotational dynamics of water mols. in the IL mixtures The results came from multiple reactions, including the reaction of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Synthetic Route of C8H15BF4N2)

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. Synthetic Route of C8H15BF4N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Application of 258278-25-0On March 15, 2019, Yang, Jin published an article in Journal of Organometallic Chemistry. The article was 《Preparation and catalytic properties of the triphenylarsine and triphenylstibine-stabilized tri-heteroleptic NHC-Pd-allyl complexes》. The article mentions the following:

A series of triphenylarsine and triphenylstibine-stabilized tri-heteroleptic NHC-Pd-allyl complexes were synthesized and characterized. The solid-state structures of the complexes shown mononuclear carbene palladium complexes, in which, each palladium center was coordinated by an N-heterocyclic carbene, the η3-coordinated allyl moiety and an As or Sb donor. Further investigation of the Pd complexes as catalysts in Sonogashira coupling reaction was carried out and the obtained complexes exhibited good reactivities for aryl bromides. In addition to this study using 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, there are many other studies that have used 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0Application of 258278-25-0) was used in this study.

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0) may be used as a precursor to the free carbene 1,3-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene, and also used as an in situ formed catalyst in a variety of reactions, e.g. amination, Heck coupling reaction, the ring-opening metathesis polymerization (ROMP), hydrogenation.Application 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

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