Category: 141556-42-5

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 141556-42-5, is researched, Molecular C21H24N2, about Mixed Arylolefin/NHC Complexes of Platinum(II): Syntheses, Characterizations, and In Vitro Cytotoxicities, the main research direction is arylolefin platinum chloride dimer complex reaction imidazolylidene ligand; platinum arylolefin imidazolylidene complex preparation cytotoxicity mass spectrum; crystal structure arylolefin platinum imidazolylidene complex; mol structure arylolefin platinum imidazolylidene complex.Application In Synthesis of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene.

Eight Pt(II) complexes [PtCl(arylolefin)(NHC)] (2-9) with varying NHCs and arylolefin chelators were prepared and analyzed by spectroscopic and spectrometric methods. The study reveals that the binding of the arylolefins is influenced by remote ring substituents and by the NHC spectator ligands. A more strongly donating NHC exhibits an increased trans influence and weakens the olefinic donor notably, which could lead to its premature dissociation Cytotoxicity studies on four human cancer cell lines indicate that a stronger binding of the arylolefin is more beneficial. The highest cytotoxic effects (IC50 = 0.18-0.70μM) were observed for [PtCl(Meug)(IMes)] (3), containing a more weakly donating NHC and the strongest arylolefin donor.

Here is just a brief introduction to this compound(141556-42-5)Application In Synthesis of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, more information about the compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene) is in the article, you can click the link below.

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

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Dalton Transactions called The reaction of rhenium nitrosyl with a sterically hindered NHC-carbene, Author is Grieco, G.; Blacque, O., which mentions a compound: 141556-42-5, SMILESS is CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2, Molecular C21H24N2, Computed Properties of C21H24N2.

The serendipitous synthesis of the unknown Re(I) complex [(OPPh3)Re(NO)2Cl3] (3) was obtained reacting the Re(V) complex trans-[(PPh3)2ReOCl3] (1) with NO gas in presence of CH3COOH. 3 reacts with 1,3-bis (2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene (IMes) to yield a stable oximate-Re(III) complex [(OPPh3)Re(NO)(ON:IMes)Cl3] (4). the IMes reacts with a bent NO, because the DFT calculations excluded the formation of both dimeric and η2-NO complexes in solution The reactivity of the NO toward the carbene is probably due to an internal fluxional process in which the NO passes from linear to bent, triggered by the π-electrons given by the three chlorides to the Re through the mesomeric effect.

Here is just a brief introduction to this compound(141556-42-5)Computed Properties of C21H24N2, more information about the compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene) is in the article, you can click the link below.

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

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst, published in 2020-09-14, which mentions a compound: 141556-42-5, mainly applied to DFT mechanism imidomolybdenum alkylidene catalyst ring closing metathesis diene; potential energy surface molybdenum catalyzed ring closing metathesis diene, Recommanded Product: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene.

DFT calculations were carried out to explore all relevant pathways for the ring-closing metathesis (RCM) reaction of a cationic Mo imido alkylidene N-heterocyclic carbene (NHC) catalyst with α,ω-dienes. Besides the catalytic cycle, which produces the desired cycloalkene in two consecutive metathesis steps, also the initiation, a nonproductive cycle, and a degenerative catalytic path were studied. Based on the approaching face of the diene, two further possibilities were considered for all pathways: syn- and anti-addition Steric repulsion on the metallacyclobutane ring of the trigonal-bipyramidal (TBP) intermediate appears one of the important influencing factors. The authors found the nonproductive cycle to compete with the catalytic conversion of the substrate. The TBP intermediate formed during the catalytic cycle is energetically lower than the corresponding TBP intermediate of the nonproductive cycle. However, the barriers for the nonproductive cycle are slightly lower than the barrier for the catalytic cycle. Thus, the nonproductive cycle can be expected to be used during catalysis, but it will only have a weak detrimental effect on the turnover rate since it is faster than the catalytic cycle. Of four different initiation paths, the α-anti-addition path is the energetically most favorable one. Notably, the catalyst is fairly stable against degradation via β-hydride (β-H) transfer to the metal. High activation barriers for the conversion of the TBP intermediate to a square-pyramidal (SP) based intermediate and a higher energy of a later intermediate suggest a stability of catalyst against degradation A very high barrier for β-H transfer also disfavors the degradation reaction. The 1H NMR spectrum of the reaction between [Mo(N-2,6-Me2-C6H3)(CHCMe2Ph)(IMes)(OCH(CF3)2)+ B(ArF)4-] and 1,7-octadiene confirms the absence of any β-H transfer.

Here is just a brief introduction to this compound(141556-42-5)Recommanded Product: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, more information about the compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene) is in the article, you can click the link below.

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

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.Safety of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene.Safir Filho, Mauro; Scattolin, Thomas; Dao, Pascal; Tzouras, Nikolaos V.; Benhida, Rachid; Saab, Marina; Van Hecke, Kristof; Lippmann, Petra; Martin, Anthony R.; Ott, Ingo; Nolan, Steven P. published the article 《Straightforward synthetic route to gold(I)-thiolato glycoconjugate complexes bearing NHC ligands (NHC = N-heterocyclic carbene) and their promising anticancer activity》 about this compound( cas:141556-42-5 ) in New Journal of Chemistry. Keywords: crystal structure mol gold thiolato glycoconjugate heterocyclic carbene complex; gold thiolato glycoconjugate NHC antitumor human breast colon lung; green chem gold thiolato glycoconjugate heterocyclic carbene complex preparation. Let’s learn more about this compound (cas:141556-42-5).

A simple and eco-friendly route to gold-NHC complexes bearing different thiosugars is reported. The reaction between [Au(NHC)Cl] precursors, the thiosugars and a weak base proceeds under air using tech. grade acetone under mild conditions (60°C, 1 h). The one-pot synthesis of the same complexes starting from the corresponding imidazolium salts was also investigated. The obtained complexes showed strong cytotoxic activities against selected cancer cell lines with IC50 values in the submicromolar to low micromolar concentration range.

Here is just a brief introduction to this compound(141556-42-5)Safety of 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, more information about the compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene) is in the article, you can click the link below.

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

Formula: C21H24N2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. 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 Benchtop NMR analysis of piperazine-based drugs hyperpolarized by SABRE. Author is Tennant, Thomas; Hulme, Matthew C.; Robertson, Thomas B. R.; Sutcliffe, Oliver B.; Mewis, Ryan E..

Piperazine-based drugs, such as N-benzylpiperazine (BZP), became attractive in the 2000s due to possessing effects similar to amphetamines. Herein, BZP, in addition to its pyridyl analogs, 2-, 3-, and 4-pyridylmethylpiperidine (2-PMP, 3-PMP, and 4-PMP resp.) was subjected to the hyperpolarisation technique Signal Amplification By Reversible Exchange (SABRE) in order to demonstrate the use of this technique to detect these piperazine-based drugs. Although BZP was not hyperpolarised via SABRE, 2-PMP, 3-PMP, and 4-PMP were, with the ortho- and meta-pyridyl protons of 4-PMP showing the largest enhancement of 313-fold and 267-fold, resp., in a 1.4-T detection field, following polarisation transfer at Earth′s magnetic field. In addition to the freebase, 4-PMP.3HCl was also appraised by SABRE and was found not to polarise, however, the addition of increasing equivalent of triethylamine (TEA) produced the freebase, with a maximum enhancement observed upon the addition of 3 equiv of TEA. Further addition of TEA led to a reduction in the observed enhancement. SABRE was also employed to polarize 4-PMP.3HCl (∼20% weight/weight) in a simulated tablet to demonstrate the forensic application of the technique (138-fold enhancement for the ortho-pyridyl protons). The amount of 4-PMP.3HCl present in the simulated tablet was quantified via NMR using D2O as a solvent and compared well to complimentary gas chromatog.-mass spectrometry data. Exchanging D2O for CD3OD as the solvent utilized for anal. resulted in a significantly lower amount of 4-PMP.3HCl being determined, thus highlighting safeguarding issues linked to drug abuse in relation to determining the amount of active pharmaceutical ingredient present.

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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

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 N-Heterocyclic Carbene Coordination to Surface Copper Sites in Selective Semihydrogenation Catalysts from Solid-State NMR Spectroscopy, the main research direction is heterocyclic carbene copper nanoparticle supported preparation catalyst semihydrogenation alkyne; solid state NMR heterocyclic carbene copper nanoparticle supported; crystal structure silica supported heterocyclic carbene copper nanoparticle; mol structure silica supported heterocyclic carbene copper nanoparticle; N-heterocyclic carbene; copper nanoparticles; nanoparticle functionalization; semihydrogenation; solid-state NMR.Related Products of 141556-42-5.

Supported metal nanoparticles are a very large class of heterogeneous catalysts. While detailed structure-activity relations require a mol.-level description of the interactions between the metal surfaces and ligands/substrates, this description is rarely accessible. Thus, most insights are derived from models based on single crystals. With the goal to understand alkyne semihydrogenation catalysts based on Cu functionalized with N-heterocyclic carbene (NHC), the authors cross this gap by studying NHC-stabilized mol. complexes, supported single sites and nanoparticles by solid-state NMR combined with computations. In SiO2-supported Cu single sites, Cu retains the coordination geometry observed in mol. compounds, while, for supported Cu nanoparticles, which are active and selective for the semihydrogenation of alkynes, NHC binding is favored at Cu adatoms atop of Cu surface, thus paralleling conclusions of surface science studies on single crystals.

Compound(141556-42-5)Related Products of 141556-42-5 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene), if you are interested, you can check out my other related articles.

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

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 N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Titanium(IV) and Titanium(III), the main research direction is titanium NHC cAAC carbene complex preparation substitution magnetic property; crystal structure titanium NHC cAAC carbene complex; mol structure titanium NHC cAAC carbene complex.Application of 141556-42-5.

The reaction of one and two equiv of the N-heterocyclic carbene IMes (IMes = 1,3-dimesitylimidazolin-2-ylidene) or the cyclic (alkyl)(amino)carbene cAAC-Me [cAAC-Me = 1-(2,6-diisopropylphenyl)-3,3,5,5-tetra-methylpyrrolidin-2-ylidene] with [TiCl4] in n-hexane results in the formation of mono- and bis-carbene complexes [TiCl4(IMes)] (1), [TiCl4(IMes)2] (2), [TiCl4(cAAC-Me)] (3), and [TiCl4(cAAC-Me)2] (4), resp. For comparison, the titanium(IV) NHC complex [TiCl4(IiPr-Me)] (5, IiPr-Me = 1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene) has been synthesized and structurally characterized. The reaction of 1 with PMe3 affords the mixed substituted complex [TiCl4(IMes)(PMe3)] (6). The reactions of [TiCl3(THF)3] with two equiv of the carbenes IMes and cAAC-Me in n-hexane lead to the clean formation of the titanium(III) complexes [TiCl3(IMes)2] (7) and [TiCl3(cAAC-Me)2] (8). Compounds 1-8 have been completely characterized by elemental anal., IR and multinuclear NMR spectroscopy and for 2-5, 7 and 8 by X-ray diffraction. Magnetometry in solution, EPR and UV/Vis spectroscopy and DFT calculations performed on 7 and 8 are indicative of a predominantly metal-centered d1-radical in both cases.

Compound(141556-42-5)Application of 141556-42-5 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene), if you are interested, you can check out my other related articles.

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

COA of Formula: C21H24N2. 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 N-heterocyclic carbene adducts of alkynyl functionalized 1,3,2-dithioborolanes. Author is Boeser, Richard; Denker, Lars; Frank, Rene.

Alkynyl functionalized boron compounds are versatile intermediates in the areas of medicinal chem., materials science, and optical materials. In particular, alkynyl boronate esters [R1-CC-B(OR2)2] are of interest since they provide reactivity at both the alkyne entity, with retention of the B-C bond or alkyne transfer to electrophilic substrates with scission of the latter. The boron atom is commonly well stabilized due to (i) the extraordinary strength of two B-O bonds, and (ii) the chelate effect exerted by a bifunctional alc. We reasoned that the replacement of a B-O for a B-S bond would lead to higher reactivity and post-functionalization in the resulting alkynyl boronate thioesters [R1-CC-B(S2X)]. Access to this poorly investigated class of compounds starts form chloro dithioborolane cyclo-Cl-B(S2C2H4) as a representative example. Whereas syntheses of three coordinate alkynyl boronate thioesters [R1-CC-B(S2X)] proved to be ineffective, the reactions of NHC-adducts (NHC = N-heterocyclic carbene) of cyclo-Cl-B(S2C2H4) afforded the alkyne substituted thioboronate esters in good yield. The products NHC-B(S2C2H4)(CC-R1) are remarkably stable towards water and air, which suggests their use as boron-based building blocks for applications akin to oxygen-based boronate esters.

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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

Application of 141556-42-5. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. 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 Catalytic Method for the Synthesis of Deuterium-Labeled N-Heterocyclic Carbenes Enabled by a Coordinatively Unsaturated Ruthenium N-Heterocyclic Carbene Catalyst. Author is Chen, Qi; Liu, Qing; Xiao, Jie; Leng, Xuebing; Deng, Liang.

The wide usage of N-heterocyclic carbenes (NHCs) has raised the quest for their deuterated mols. Effective synthesis method to obtain them, however, has remained elusive. We present here a catalytic method for the preparation of deuterated NHCs, namely, the catalytic hydrogen-deuterium exchange reaction between NHCs and deuterated benzene using a coordinatively unsaturated Ru NHC catalyst. The catalytic system enables selective deuteration of the C(sp3)-H bonds of the alkyl groups on N-substituents, as well as the sterically nonhindered C(sp2)-H bonds of NHCs as demonstrated by the preparation of 16 deuterium-labeled NHCs that have a deuteration ratio on specified sites higher than 90%. The gram-scale synthesis of deuterated IMes indicated the applicability of this catalytic method. Mechanistic studies revealed that the high regio-selectivity toward those C(sp3)-H bonds on NHCs originates from the regio-selectivity of cyclometalation reactions of coordinatively unsaturated Ru NHC species.

Compound(141556-42-5)Application of 141556-42-5 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene), if you are interested, you can check out my other related articles.

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

Synthetic Route of C21H24N2. 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 Formation and Cycloaddition Reactions of a Reactive Boraalkene Stabilized Internally by N-Heterocyclic Carbene. Author is Chen, Chaohuang; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard.

The synthesis of element-carbon double bonds is of great importance for the development and understanding of reactive π-bonded systems in chem. The seven-membered heterocyclic system 4b is readily made by internal C-H activation at a pendent iso-Pr Me group of the resp. [(IPr)C6F5BH]+ borenium ion. Subsequent deprotonation with the IMes carbene gives the neutral cyclic boraalkene system 5b. The B:C double bond in compound 5b adds carbon dioxide, CS2, sulfur dioxide, Ph isocyanate, an acetylenic ester or two NO mols. to give the corresponding four-membered ring annulated heterocycles. With sulfur or selenium 5b gives the resp. three-membered ring systems. N2O reacts with 5b to give a mixture of the related oxaborirane 18 and a unique [B]OH containing diazoalkane product 19.

Compound(141556-42-5)Synthetic Route of C21H24N2 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene), if you are interested, you can check out my other related articles.

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