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SDS of cas: 141556-42-5. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, is researched, Molecular C21H24N2, CAS is 141556-42-5, about DFT study of unstrained ketone C-C bond activation via rhodium(I)-catalyzed Suzuki-Miyaura cross-coupling reactions. Author is Xiao, Dengmengfei; Zhao, Lili; Andrada, Diego M..

Unstrained cyclic ketones can participate in cooperative Suzuki-Miyaura cross-coupling type reaction using rhodium(I)-based catalyst via C-C bond activation. The regioselectivity indicates a trend where the most substituted side is activated and it is controlled by the β-substituents. In this work, D. Functional Theory (DFT) calculations have been carried out to disclose the underlying mechanism in the reaction of a ketone series and arylboronate using ylidene as ancillary ligand and pyridine as co-catalysts. The computed energies suggest the reductive elimination step with the highest energy while the reductive elimination has the highest energy barrier. By the means of the Activation Strain Model (ASM) of chem. reactivity, it is found that the ketone strain energy released on the oxidative addition does not control the relativity of the OA reactivity, but indeed is the interaction energy between Rh(I) and C-C bond the ruling effect. The effect of the β-substituents on regioselectivity has been addnl. studied.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene(SMILESS: CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2,cas:141556-42-5) is researched.Application of 16588-26-4. The article 《Hyperpolarising Pyruvate through Signal Amplification by Reversible Exchange (SABRE)》 in relation to this compound, is published in Angewandte Chemie, International Edition. Let’s take a look at the latest research on this compound (cas:141556-42-5).

Hyperpolarisation methods that premagnetise agents such as pyruvate are currently receiving significant attention because they produce sensitivity gains that allow disease tracking and interrogation of cellular metabolism by magnetic resonance. Here, we communicate how signal amplification by reversible exchange (SABRE) can provide strong 13C pyruvate signal enhancements in seconds through the formation of the novel polarisation transfer catalyst [Ir(H)2(η2-pyruvate)(DMSO)(IMes)]. By harnessing SABRE, strong signals for [1-13C]- and [2-13C]pyruvate in addition to a long-lived singlet state in the [1,2-13C2] form are readily created; the latter can be observed five minutes after the initial hyperpolarisation step. We also demonstrate how this development may help with future studies of chem. reactivity.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, is researched, Molecular C21H24N2, CAS is 141556-42-5, about High-throughput continuous-flow system for SABRE hyperpolarization, the main research direction is iridium catalyst preparation pyridine nuclear polarization hyperpolarization; Flow imaging; Hyperpolarization; MRI; NMR spectroscopy; SABRE; para-H(2).Electric Literature of C21H24N2.

Signal Amplification By Reversible Exchange (SABRE) is a versatile method for hyperpolarizing small organic mols. that helps to overcome the inherent low signal-to-noise ratio of NMR (NMR) measurements. It offers orders of magnitude enhanced signal strength, but the obtained nuclear polarization usually rapidly relaxes, requiring a quick transport of the sample to the spectrometer. Here we report a new design of a polarizing system, which can be used to prepare a continuous flow of SABRE-hyperpolarized sample with a considerable throughput of several millilitres per s and a rapid delivery into an NMR instrument. The polarizer performance under different conditions such as flow rate of the hydrogen or liquid sample is tested by measuring a series of NMR spectra and magnetic resonance images (MRI) of hyperpolarized pyridine in methanol. Results show a capability to continuously produce sample with dramatically enhanced signal over two orders of magnitude. The constant supply of hyperpolarized sample can be exploited, e.g., in experiments requiring multiple repetitions, such as 2D- and 3D-NMR or MRI measurements, and also naturally allows measurements of flow maps, including systems with high flow rates, for which the level of achievable thermal polarization might not be usable any more. In addition, the experiments can be viably carried out in a non-deuterated solvent, due to the effective suppression of the thermal polarization by the fast sample flow. The presented system opens the possibilities for SABRE experiments requiring a long-term, stable and high level of nuclear polarization.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Guthardt, Robin; Mellin, Johanna; Bruhn, Clemens; Siemeling, Ulrich researched the compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene( cas:141556-42-5 ).COA of Formula: C21H24N2.They published the article 《1,1′-Ferrocenylene-Bridged Bis(N-Heterocyclic Olefin) Derivatives》 about this compound( cas:141556-42-5 ) in European Journal of Inorganic Chemistry. Keywords: crystal structure mol ferrocenyl heterocyclic olefin derivative preparation electrochem; ferrocene heterocyclic olefin dimesitylimidazolinylidene diisopropylphenylimidazolinylidene preparation diastereoisomer structure. We’ll tell you more about this compound (cas:141556-42-5).

The 1,1′-ferrocenylene (fc)-bridged bis(N-heterocyclic olefin) compounds (IMes:CH)2fc (1, IMes = 1,3-dimesitylimidazolin-2-ylidene) and (IPr:CH)2fc (2, IPr = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene) were synthesized from (ICH2)2fc (3) and the resp. N-heterocyclic carbene IMes or IPr. Ligand substitution reactions of 1 and 2 with [BH3(THF)] afforded the complexes [1(BH3)2] and [2(BH3)2] as mixtures of the rac- and meso-diastereomers. The new ferrocene derivatives 1-3 and the complexes meso-[1(BH3)2], rac-[1(BH3)2] and rac-[2(BH3)2] were structurally characterized by single-crystal x-ray diffraction. 1 And 2 represent a new class of ferrocene-based, and hence redox-active, bidentate ligands. The presence of three redox-active moieties, viz. the ferrocene unit and the two NHO units, is reflected by three consecutive oxidations according to an electrochem. investigation exemplarily performed with 2 by cyclic voltammetry.

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 141556-42-5, is researched, SMILESS is CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2, Molecular C21H24N2Journal, Article, Journal of the American Chemical Society called Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes, Author is Herz, Katharina; Podewitz, Maren; Stoehr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R., the main research direction is olefin metathesis mechanism molybdenum imido alkylidene azaheterocyclic carbene complex.COA of Formula: C21H24N2.

A series of neutral molybdenum imido alkylidene N-heterocyclic carbene (NHC) bistriflate and monotriflate monoalkoxide complexes as well as cationic molybdenum imido alkylidene triflate complexes have been subjected to NMR spectroscopic, X-ray crystallog., and reaction kinetic measurements in order to gain a comprehensive understanding about the underlying mechanism in olefin metathesis of this new type of catalysts. On the basis of exptl. evidence and on DFT calculations (BP86/def2-TZVP/D3/cosmo) for the entire mechanism, olefinic substrates coordinate trans to the NHC of neutral 16-electron complexes via an associative mechanism, followed by dissociation of an anionic ligand (e.g., triflate) and formation of an intermediary molybdacyclobutane trans to the NHC. Formation of a cationic complex is crucial in order to become olefin metathesis active. Variations in the NHC, the imido, the alkoxide, and the noncoordinating anion revealed their influence on reactivity. The reaction of neutral 16-electron complexes with 2-methoxystyrene is faster for catalysts bearing one triflate and one fluorinated alkoxide than for catalysts bearing two triflate ligands. This is also reflected by the Gibbs free energy values for the transition states, ΔG‡303, which are significantly lower for catalysts bearing only one triflate than for the corresponding bistriflate complexes. Reaction of a solvent-stabilized cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) monotriflate complex with 2-methoxystyrene proceeded via an associative mechanism too. Reaction rates of both solvent-free and solvent-stabilized cationic Mo imido alkylidene NHC catalysts with 2-methoxystyrene are controlled by the cross-metathesis step but not by adduct formation.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene( cas:141556-42-5 ) is researched.COA of Formula: C21H24N2.Brown, Alexandra C.; Suess, Daniel L. M. published the article 《Controlling Substrate Binding to Fe4S4 Clusters through Remote Steric Effects》 about this compound( cas:141556-42-5 ) in Inorganic Chemistry. Keywords: tetranuclear imidazolylidene iron sulfide cluster preparation crystal structure; crystal structure tetranuclear imidazolylidene iron sulfide cluster; mol structure tetranuclear imidazolylidene iron sulfide cluster. Let’s learn more about this compound (cas:141556-42-5).

The extraordinary reactivity exhibited by many Fe-S enzymes is due in large part to the influence of the protein scaffold on substrate binding and activation. In principle, the coordination chem. of synthetic Fe-S clusters could similarly be controlled through remote steric effects. Toward this end, the authors report the synthesis of 3:1 site-differentiated [Fe4S4] clusters ligated by N-heterocyclic carbene (NHC) ligands with variable steric profiles: IMes (1,3-dimesitylimidazol-2-ylidene) and IiPrMe (1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene). Treatment of (IMes)3Fe4S4Cl with NaBArF4 in ethereal solvents (Et2O and THF) gives an ether adduct, [(IMes)3Fe4S4(solv)][BArF4]; solvent can be displaced by addition of tBuNC to form the unusual monoisocyanide adduct [(IMes)3Fe4S4(CNtBu)][BArF4]. Carrying out the same reactions with the less sterically encumbered cluster (IiPrMe)3Fe4S4Cl results in more typical reactivity: undesired ligand redistribution to form the homoleptic cluster [(IiPrMe)4Fe4S4][BArF4] and generation of the triisocyanide adduct [(IiPrMe)3Fe4S4(CNtBu)3][BArF4]. The increased steric profile of the IMes ligands disfavors ligand redistribution and defines a binding pocket at the apical Fe, thereby enabling the generation of a coordinatively unsaturated and substitutionally labile Fe site. This method of controlling the coordination chem. at the apical Fe site by modifying the sterics of ligands bound to adjacent Fe sites complements existing strategies for generating site-differentiated Fe-S clusters and provides new opportunities to direct reactivity at cuboidal metalloclusters.

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From this literature《Oligomerization of phosphaalkynes mediated by bulky N-heterocyclic carbenes: avenues to novel phosphorus frameworks》,we know some information about this compound(141556-42-5)Reference of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, but this is not all information, there are many literatures related to this compound(141556-42-5).

Reference of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, is researched, Molecular C21H24N2, CAS is 141556-42-5, about Oligomerization of phosphaalkynes mediated by bulky N-heterocyclic carbenes: avenues to novel phosphorus frameworks.

Reactions of RCP (R = tBu or Ad (adamantyl)) with NHCs (SIMes, 1a; IMes, 1b and IDipp, 1d), leading to 1,2,3-triphosphetenes 2 and 3, a triphosphole 4, and a di-1,2-dihydro-1,2-diphosphete-substituted diphosphene 5, are reported. Compound 5 represents a novel P6 chain framework, as well as a newly discovered phosphaalkyne hexamer stabilized by two NHCs. Computational investigations suggest that the weak π-accepting ability of NHCs results in low stability of the initially formed 2H-phosphirenes, thus facilitating spontaneous oligomerization reactions. Such oligomerizations are highly susceptible to the electronic property and steric bulk of NHCs.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, is researched, Molecular C21H24N2, CAS is 141556-42-5, about Acyl Donor Intermediates in N-Heterocyclic Carbene Catalysis: Acyl Azolium or Azolium Enolate?.Related Products of 141556-42-5.

Azolium enolates and acyl azolium cations have been proposed as intermediates in numerous N-heterocyclic carbene (NHC) catalyzed transformations. Acetyl azolium enolates were generated from the reaction of 2-propenyl acetate with both saturated (SIPr) and aromatic (IPr) NHCs, isolated, and characterized (NMR, XRD). Protonation with triflic acid gave the corresponding acetyl azolium triflates which were isolated and characterized (NMR, XRD). Acyl azolium cations have been proposed as immediate precursors of the ester product, for example, in the redox esterification of α,β-enals. Studies with d3-acetyl azolium triflate suggest that ester formation originates instead from an azolium enolate intermediate. Furthermore, the acetyl azolium enolate selectively reacted with alc. nucleophiles in the presence of amines. While the acetyl azolium cation did not react with alcs., an ester-selective reaction was induced by addition of base, by intermediate formation of the acetyl azolium enolate.

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Hauser, Philipp M.; van der Ende, Melita; Groos, Jonas; Frey, Wolfgang; Wang, Dongren; Buchmeiser, Michael R. published an article about the compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene( cas:141556-42-5,SMILESS:CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2 ).Product Details of 141556-42-5. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:141556-42-5) through the article.

The first cationic and neutral tungsten alkylidyne N-heterocyclic carbene (NHC) complexes bearing one triflate ligand were synthesized and tested for their reactivity in alkyne metathesis. Both types of tungsten alkylidyne complexes display a higher productivity in alkyne metathesis than the analogous neutral tungsten alkylidyne NHC trisalkoxide complexes. Reaction of W( CC6H4OMe)(1,3-bis(1-hydroxy-1,1-trifluoromethylethyl)-imidazol-2-ylidene)Cl (W18) with AgB(ArF)4 (ArF = 3,5-bis(trifluoromethyl)phenyl) resulted in the unexpected formation of, to the best of our knowledge, the first cationic ditungstatetrahedrane W2(1,3-bis(1-hydroxy-1,1-trifluoromethyl-ethyl)-imidazol-2-ylidene)2(MeCN)(μ-((Ar)CC(Ar)))+ (B(ArF)4)- (W19, Ar = C6H4OMe), which suggests bimol. decomposition as a possible decomposition pathway of cationic tungsten alkylidyne NHC complexes. Reaction of the cationic tungsten alkylidyne NHC complex W( CC6H4OMe)(1,3-diisopropylimidazol-2-ylidene)(OC(CF3)2Me)2(NCtBu)+ (B(ArF)4)- (W7) with 1-phenyl-1-propyne allowed for the isolation of a cationic tungstacyclobutadiene W(C3(Ph)(Me)(C6H4OMe))(1,3-diisopropylimidazol-2-ylidene)(OC(CF3)2Me)2(NCtBu)+ (B(ArF)4)- (W20). Its formation strongly supports a cationic active species in the alkyne metathesis with tungsten alkylidyne NHC complexes.

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Lenis-Rojas, Oscar A.; Cordeiro, Sandra; Horta-Meireles, Marta; Fernandez, Jhonathan Angel Araujo; Fernandez Vila, Sabela; Rubiolo, Juan Andres; Cabezas-Sainz, Pablo; Sanchez, Laura; Fernandes, Alexandra R.; Royo, Beatriz published an article about the compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene( cas:141556-42-5,SMILESS:CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2 ).Reference of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:141556-42-5) through the article.

Cisplatin and its derivatives are commonly used in chemotherapeutic treatments of cancer, even though they suffer from many toxic side effects. The problems that emerge from the use of these metal compounds led to the search for new complexes capable to overcome the toxic side effects. Here, we report the evaluation of the antiproliferative activity of Fe(II) cyclopentadienyl complexes bearing n-heterocyclic carbene ligands in tumor cells and their in vivo toxicol. profile. The in vitro antiproliferative assays demonstrated that complex Fe1 displays the highest cytotoxic activity both in human colorectal carcinoma cells (HCT116) and ovarian carcinoma cells (A2780) with IC50 values in the low micromolar range. The antiproliferative effect of Fe1 was even higher than cisplatin. Interestingly, Fe1 showed low in vivo toxicity, and in vivo analyses of Fe1 and Fe2 compounds using colorectal HCT116 zebrafish xenograft showed that both reduce the proliferation of human HCT116 colorectal cancer cells in vivo.