Tag: M.W:200-300

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, Research Support, Non-U.S. Gov’t, Chemistry – A European Journal called Can Non-Kramers TmIII Mononuclear Molecules be Single-Molecule Magnets (SMMs)?, Author is Meng, Yin-Shan; Qiao, Yu-Sen; Zhang, Yi-Quan; Jiang, Shang-Da; Meng, Zhao-Sha; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song, which mentions a compound: 18583-60-3, SMILESS is [BH-](N1N=CC=C1)(N2N=CC=C2)N3N=CC=C3.[K+], Molecular C9H10BKN6, Safety of Potassiumtris(1-pyrazolyl)borohydride.

In recent years, plentiful lanthanide-based (TbIII, DyIII, and ErIII) single-mol. magnets (SMMs) were studied, while examples of other lanthanides, for example, TmIII are still unknown. The authors show that by rationally manipulating the coordination sphere, two thulium compounds, 1[(Tp)Tm(COT)] and 2[(Tp*)Tm(COT)] (Tp=hydrotris(1-pyrazolyl)borate; COT=cyclooctatetraenide; Tp*=hydrotris(3,5-dimethyl-1-pyrazolyl)borate), can adopt the structure of non-Kramers SMMs and exhibit their behaviors. Dynamic magnetic studies indicated that both compounds showed slow magnetic relaxation under dc field and a relatively high effective energy barrier (111 K for 1, 46 K for 2). Magnetic diluted 1 a[(Tp)Tm0.05Y0.95(COT)] and 2 a[(Tp*)Tm0.05Y0.95(COT)] even exhibited magnetic relaxation under zero dc field. Relativistic ab initio calculations combined with single-crystal angular-resolved magnetometry measurements revealed the strong easy axis anisotropy and nearly degenerated ground doublet states. The comparison of 1 and 2 highlights the importance of local symmetry for obtaining Tm SMMs.

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HPLC of Formula: 18583-60-3. 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: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Heterodinuclear Complexes Containing d- and f-block Elements: Synthesis, Structural Characterization, and Metal-Metal Interactions of Novel Chromium(III)-Lanthanide(III) Compounds Bridged by Oxalate. Author is Sanada, Takayuki; Suzuki, Takayoshi; Yoshida, Takafumi; Kaizaki, Sumio.

The reaction of Ln(III) ions with a tripodal ligand HBpz3- (hydrotris(pyrazol-1-yl)borate) and a complex ligand [Cr(acac)2(ox)]- (acac- = acetylacetonate, ox2- = oxalate) in aqueous solution afforded the novel 3d-4f heterodinuclear complexes [(acac)2Cr(ox)Ln(HBpz3)2] (Ln = Eu (1), Gd (2), Tb (3), Yb (4), Lu (5)). 4 Crystallizes in monoclinic space group P2/n, with a 8.594(3), b 18.538(4), c 12.093(2) Å, β 93.71(2)°, and Z = 2. Yb coordinates in an eight-coordinate distorted square antiprismatic geometry. The intramol. Cr···Yb distance is 5.631(1) Å. The magnetic susceptibility data for 2 showed that the CrIII-GdIII interaction is weakly antiferromagnetic with an exchange coupling constant JCrGd = -0.09 cm-1. The luminescence measurements demonstrated the energy transfers for both Ln(III) → Cr(III) and Cr(III) → Ln(III), of which the degree of emission quenching depends on the energy gap of the excited levels in two metal centers. These results reveal that the metal-metal interactions between Cr(III) and Ln(III) are very weak in magnetic interaction but are strong from the viewpoint of energy transfer.

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Computed Properties of C9H10BKN6. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Tris(pyrazolyl)borate dihydrogen complexes of ruthenium. Author is Halcrow, Malcolm A.; Chaudret, Bruno; Trofimenko, Swiatoslaw.

Reaction of [Ru(PCy3)2(H2)HI] (Cy = cyclohexyl) with K(tpb) [tpb = tris(pyrazol-1-yl)borate(1-)] or Tl(tdmpb) [tdmpb = tris(3,5-dimethylpyrazol-1-yl)borate(1-)] affords [Ru(η3-L)(PCy3)(H2)H] (L = tpb, tdmpb), via the intermediates trans-[Ru(η2-L)(PCy3)2(H2)H]. Protonation of [Ru(tpb)(PCy3)(H2)H] with HBF4.Et2O leads to [Ru(tbp)(PCy3)(OH2)(H2)]BF4.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Potassiumtris(1-pyrazolyl)borohydride(SMILESS: [BH-](N1N=CC=C1)(N2N=CC=C2)N3N=CC=C3.[K+],cas:18583-60-3) is researched.COA of Formula: C5H10O3. The article 《Solvent-triggered relaxative spin state switching of [Fe(HB(pz)3)2] in a closed nano-confinement of NH2-MIL-101(Al)》 in relation to this compound, is published in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices. Let’s take a look at the latest research on this compound (cas:18583-60-3).

The synthesis of the NH2-MIL-101(Al) Metal-Organic Framework (MOF) with bis(hydrotris(pyrazolyl)borato)iron(II), [Fe(HB(pz)3)2], added to the reaction medium yielded [Fe(HB(pz)3)2]@NH2-MIL101(Al) encapsulation products, denoted as S@Ms, in a ‘bottle-around-the-ship’ assembly. [Fe(HB(pz)3)2] is a spin-crossover (SCO) compound with a gradual spin transition at 290-440 K for the bulk material (repeated cycles), associated with a pronounced color change from the red low spin (LS) state to the white high-spin (HS) state. The identity of S@Ms, with a maximum loading of the iron complex at ∼11% (0.16 mols. per Al3OL3 moiety), was confirmed by PXRD and spectroscopic measurements. The entrapped complex, which is stable in air and cannot be removed by vacuum drying, is confined in the cages of the framework. N2 and CO2 gas adsorption measurements on the dry S@M composite with different iron complex loadings confirm the absence of most of the initial NH2-MIL-101(Al) porosity. The S@M composite material demonstrates a gradual thermally induced transition from the red low-spin (LS) state to the light yellow HS state, associated with the color of the matrix, chiefly over the range 300-450 K, which is close to the 290-440 K temperature range for [Fe(HB(pz)3)2]. The thermally induced HS form of S@M does not return to the LS upon cooling to room temperature, and the metastable HS form relaxes only very slowly, which becomes noticeable only after weeks of storage. Rapid and almost complete relaxation and decrease of magnetic moment for up to ∼97% of the whole sweep could be triggered by the addition of n-hexane, as evidenced by the change of color and magnetic measurements. Via mech. stress akin to the action of capillary forces, the adsorbed liquid effectively amplifies the otherwise very weak ‘matrix effect’ by increasing the effective local pressure imposed on the transit mols., thus favoring even further the LS state. The immersion of the dried composites into practically any typical solvents, including MeOH, DMSO, DMF, iPrOH, BuOH, t-BuOH, THF, ethylacetate, CH2Cl2, CHCl3 CCl4, toluene, mesitylene, and cyclohexane, also induces a spin state change, which is evidenced by the change of color. The effect is fully reversible: the metastable HS state could be reinstated upon drying the sample at elevated temperature and subsequent cooling. The materials were thoroughly characterized by AAS, PXRD, gas sorption anal., IR spectroscopy, magnetic measurements, and optical reflectivity measurements. Therefore, a novel MOF-based material with isolated SCO units is proposed, which demonstrates a salient relaxative ‘solvent assisted matrix-effect’ on metastable entrapped sites, potentially suitable for light-driven single-unit addressability.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(Bromomethyl)-4-iodobenzene(SMILESS: IC1=CC=C(CBr)C=C1,cas:16004-15-2) is researched.Related Products of 2343-22-8. The article 《Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse Agonists》 in relation to this compound, is published in ACS Medicinal Chemistry Letters. Let’s take a look at the latest research on this compound (cas:16004-15-2).

A new Ph (3-phenylpyrrolidin-3-yl)sulfone series of RORγt inverse agonists was discovered utilizing the binding conformation of previously reported bicyclic sulfonamide 1. Through a combination of structure-based design and structure-activity relationship studies, a polar set of amides at N1-position of the pyrrolidine ring and perfluoroisopropyl group at para-position of the 3-Ph group were identified as critical structural elements to achieve high selectivity against PXR, LXRα, and LXRβ. Further optimization led to the discovery of (1R,4r)-4-((R)-3-((4-fluorophenyl)sulfonyl)-3-(4-(perfluoropropan-2-yl)phenyl)pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (26), which displayed excellent selectivity, desirable liability and pharmacokinetic properties in vitro, and a good pharmacokinetic profile in mouse. Oral administration of 26 demonstrated dose-dependent inhibition of IL-17 production in a mouse IL-2/IL-23-induced pharmacodynamic model and biol.-like efficacy in an IL-23-induced mouse acanthosis model.

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Stauber, Julia M.; Qian, Elaine A.; Han, Yanxiao; Rheingold, Arnold L.; Kral, Petr; Fujita, Daishi; Spokoyny, Alexander M. published the article 《An organometallic strategy for assembling atomically precise hybrid nanomaterials》. Keywords: dodecaborane conjugate nanoparticle gold aminophosphine complex preparation thiolation; thioether conjugate dodecaborane preparation metalation gold aminophosphine.They researched the compound: 1-(Bromomethyl)-4-iodobenzene( cas:16004-15-2 ).Product Details of 16004-15-2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:16004-15-2) here.

Metalation of hypercloso-dodecaborane-appended aryl iodide B12(OCH2C6H4I)12 with Au(I) Me-DalPhos (L) complex LAuCl gives rise to Au(III)-functionalized cage [B12[OCH2C6H4Au(Cl)(Me-DalPhos)]12][SbF6]11 (1), which was converted into thioethers [B12[OCH2C6H4SR]12]2- (2-20) by reaction with thiols RSH and used for further layer-by-layer nanocluster growth. For decades, chemists have striven to mimic the intricate design and diverse functions of naturally occurring systems through the bioinspired synthesis of programmable inorganic nanomaterials. The development of thiol-capped gold nanoparticles (AuNPs) has driven advancement in this area; however, although versatile and readily accessible, hybrid AuNPs are rarely atomically precise, which limits control over their surface topol. and therefore the study of complex structure-function relationships. Here, we present a bottom-up approach to the systematic assembly of atomically precise hybrid nanoclusters employing a strategy that mimics the synthetic ease with which thiol-capped AuNPs are normally constructed, while producing well-defined covalent nanoscale assemblies with diverse surface topologies. For the first time, using a structurally characterized cluster-based organometallic building block, we demonstrate the systematic synthesis of nanoclusters with multivalent binding capabilities to complex protein targets.

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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-(Bromomethyl)-4-iodobenzene( cas:16004-15-2 ) is researched.Related Products of 16004-15-2.Tan, Fei; Pu, Maoping; He, Jun; Li, Jinzhao; Yang, Jian; Dong, Shunxi; Liu, Xiaohua; Wu, Yun-Dong; Feng, Xiaoming published the article 《Catalytic Asymmetric Homologation of Ketones with α-Alkyl α-Diazo Esters》 about this compound( cas:16004-15-2 ) in Journal of the American Chemical Society. Keywords: keto esters chemoselective regioselective enantioselective preparation; alkyl diazoester ketone scandium catalyst homologation chemoselective regioselective enantioselective. Let’s learn more about this compound (cas:16004-15-2).

The homologation of ketones with diazo compounds was a useful strategy to synthesize one-carbon chain-extended acyclic such as PhC(O)CMeCO2MeR [R = allyl, Bn, CH2(2-naphthyl), etc.] or ring-expanded cyclic ketones e.g., I. However, the asym. homologation of acyclic ketones with α-diazo esters remains a challenge due to the lower reactivity and complicated selectivity. Herein, the enantioselective catalytic homologation of acetophenone and related derivatives with α-alkyl α-diazo esters was reported utilizing a chiral scandium(III) N,N’-dioxide as the Lewis acid catalyst. This reaction supplies a highly chemo-, regio-, and enantioselective pathway for the synthesis of optically active β-keto esters with an all-carbon quaternary center through highly selective alkyl-group migration of the ketones. Moreover, the ring expansion of cyclic ketones was accomplished under slightly modified conditions, affording a series of enantioenriched cyclic β-keto esters. D. functional theory calculations was carried out to elucidate the reaction pathway and possible working models that could explain the observed regio- and enantioselectivity.

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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.Dias, Maria C. F.; Gularte, Thiago Q.; Teixeira, Robson R.; Santos, Jorge A. N.; Pilau, Eduardo J.; Mendes, Tiago A. O.; Demuner, Antonio J.; dos Santos, Marcelo H. researched the compound: 1-(Bromomethyl)-4-iodobenzene( cas:16004-15-2 ).Application of 16004-15-2.They published the article 《Synthesis of 1,2,3-triazole derivatives of 4,4′-dihydroxybenzophenone and evaluation of their elastase inhibitory activity》 about this compound( cas:16004-15-2 ) in Journal of the Brazilian Chemical Society. Keywords: benzophenone bis aryl triazolylmethoxy preparation elastase inhibitor docking. We’ll tell you more about this compound (cas:16004-15-2).

The synthesis of a series of novel triazole derivatives I (R = 4-iodophenyl, 2-methylphenyl, 2,6-dichlorophenyl, etc.) from 4,4′-dihydroxybenzophenone along with their elastase inhibitory activity has been described. The 1,2,3-triazoles I were obtained via the copper(I)-catalyzed azide-alkyne cycloaddition reaction (CuAAC), also known as click reaction, between bis(4-(prop-2-yn-1-yloxy))benzophenone and several benzyl azides RCH2N3. It was found that five derivatives exhibited significant inhibitory effects, presenting half maximal inhibitory concentration (IC50) values in the range of 16.6 to 72.1 μM. The most active compound, namely I (R = 4-iodophenyl) (IC50 = 16.6 ± 1.9 μM), was found to bind to elastase with the inhibition constant (Ki) of 11.12 μM, thereby illustrating competitive inhibitory behavior. Further, docking investigations provided insights on the possible binding mode of the most active compound with the elastase.

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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-(Bromomethyl)-4-iodobenzene( cas:16004-15-2 ) is researched.Synthetic Route of C7H6BrI.Pan, Ming; Shao, Ying-Bo; Zhao, Qun; Li, Xin published the article 《Asymmetric Synthesis of N-N Axially Chiral Compounds by Phase-Transfer-Catalyzed Alkylations》 about this compound( cas:16004-15-2 ) in Organic Letters. Keywords: alkyl bromide quinazolinone alkylation phase transfer catalyst; axially chiral quinazolinone preparation enantioselective DFT. Let’s learn more about this compound (cas:16004-15-2).

A wide range of N-N axially chiral quinazolinone derivatives I (R1 = Ph, prop-1-en-2-yl, 3-chlorphenyl, etc.; R2 = Ph, 1-naphthyl, prop-1-ynyl, etc.; R3 = Ph, t-Bu, 3-bromophenyl, etc.; R4 = H, 7-Me, 6-I, 5-Cl, etc.) were prepared by phase-transfer catalysis in high yields with excellent stereoselectivities. Furthermore, the synthetic utility of the protocol was proved by large-scale reaction and transformation of the product. D. functional theory calculations provide insight into the mechanism.

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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-(Bromomethyl)-4-iodobenzene, is researched, Molecular C7H6BrI, CAS is 16004-15-2, about Structural modification on rupestonic acid leads to highly potent inhibitors against influenza virus.Product Details of 16004-15-2.

Influenza viruses are responsible for seasonal epidemics and occasional pandemics, which cause significant morbidity and mortality. Although several drugs (adamantanes and neuraminidase inhibitors) are available in the market, the worldwide spread of drug-resistant influenza strains poses an urgent need for novel antiviral drugs. Artemisia rupestris L. is a folk medicine used to treat cold. In this paper, we structurally modified rupestonic acid, a bioactive component of A. rupestris, to synthesize a series of 2-substituted rupestonic acid Me esters (3a-3o). Their structures were fully characterized by 1H NMR, 13C NMR, HRMS spectra. Among them, compounds 3b and 3c exhibited potent activities against influenza H1N1 with micromolar IC50 values and might serve as new lead compounds for the treatment of influenza.

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