Month: April 2022

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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Related Products of 53562-86-0. 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: (S)-Methyl 3-hydroxybutanoate, is researched, Molecular C5H10O3, CAS is 53562-86-0, about Asymmetric reduction of β-keto esters with an enzyme from bakers’ yeast.

Various β-keto esters have been reduced by one of β-keto ester reductases isolated from bakers’ yeast. The corresponding β-hydroxy esters have been obtained in excellent enantiomeric and diastereomeric excesses, resp. It has also been determined that the reductase recognizes the stereochem. not only at the β-carbon but also at the α-carbon affording one of the four possible diastereoisomers of α-substituted β-hydroxy esters predominantly. The stereoselectivity is excellent and chem. yields are moderate to good.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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, Journal of Organometallic Chemistry called Preparation, reactivity and photoluminescence of copper(I) borohydride complexes with bis[(2-diphenylphosphino)phenyl] ether as chelating ligand, Author is Ferraro, Valentina; Castro, Jesus; Trave, Enrico; Bortoluzzi, Marco, which mentions a compound: 66-71-7, SMILESS is C1=CC3=C(C2=NC=CC=C12)N=CC=C3, Molecular C12H8N2, Reference of 1,10-Phenanthroline.

Bis[(2-diphenylphosphino)phenyl] ether (DPEphos) was used as chelating ligand to prepare the corresponding borohydride complex [Cu(κ2-BH4)(DPEphos)], whose structure was ascertained spectroscopically and by means of X-ray diffraction. The spectroscopic assignments related to the coordinated borohydride were confirmed by preparing the isotopologue [Cu(κ2-BD4)(DPEphos)]. Reaction of [Cu(κ2-BH4)(DPEphos)] with triflic acid afforded the dimer [Cu2(μ-BH4)(DPEphos)2][OTf] (OTf = triflate). The borohydride complexes exhibited appreciable blue emission upon excitation with UV light at room temperature [Cu(κ2-BH4)(DPEphos)] revealed to be a suitable precursor for the preparation of luminescent heteroleptic copper(I) complexes having general formula [Cu(NN̂)(DPEphos)]+ (NN̂ = 1,10-phenantroline, 2,9-dimethyl-1,10-phenantroline, 2,2′-bypiridine, 4,4′-dimethyl-2,2’bipyridine).

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Computed Properties of C8H8FN. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Fluoroindoline, is researched, Molecular C8H8FN, CAS is 2343-22-8, about Acceptorless Dehydrogenation of N-Heterocycles by Merging Visible-Light Photoredox Catalysis and Cobalt Catalysis. Author is He, Ke-Han; Tan, Fang-Fang; Zhou, Chao-Zheng; Zhou, Gui-Jiang; Yang, Xiao-Long; Li, Yang.

Herein, the first acceptorless dehydrogenation of tetrahydroquinolines (THQs), indolines, and other related N-heterocycles, by merging visible-light photoredox catalysis and cobalt catalysis at ambient temperature, is described. The potential applications to organic transformations and hydrogen-storage materials are demonstrated. Primary mechanistic investigations indicate that the catalytic cycle occurs predominantly by an oxidative quenching pathway.

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Recommanded Product: 54903-09-2. 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: 6-Acetylbenzo[d]oxazol-2(3H)-one, is researched, Molecular C9H7NO3, CAS is 54903-09-2, about New halogenated chalcones with cytotoxic and carbonic anhydrase inhibitory properties: 6-(3-Halogenated phenyl-2-propen-1-oyl)-2(3H)-benzoxazolones. Author is Bilginer, Sinan; Gul, Halise I.; Erdal, Feyza S.; Sakagami, Hiroshi; Gulcin, Ilhami.

In this study, novel halogenated chalcones, 6-(3-halogenated phenyl-2-propen-1-one)-2(3H)-benzoxazolones (2a-n), were synthesized for the first time (except 2a), and their chem. structures were characterized by 1H NMR (NMR), 13C NMR, and high-resolution mass spectrometry spectra. Cytotoxic activities and carbonic anhydrase (CA) inhibitory effects of the compounds were studied to identify new possible drug candidate mols. Cytotoxicity results pointed out that compound 2m, 6-[3-(3-bromophenyl)-2-propenoyl]-2(3H)-benzoxazolone, had the highest cytotoxicity (CC50) and potency selectivity expression (PSE) values. Thus, compound 2m can be considered as a lead compound of the series in terms of cytotoxicity. When the CA inhibition results of the compounds were evaluated, it was found that the Ki values of the compounds ranged from 30.5 ± 11.3 to 65.5 ± 25.6 μM toward hCA I, and they ranged from 7.3 ± 1.8 to 58.8 ± 12.3 μM toward hCA II. However, the Ki values of the reference drug, acetazolamide (AZA), were 30.2 ± 7.8 and 4.4 ± 0.6 μM toward hCA I and hCA II, resp. According to the results obtained, compounds 2a-n had lower Ki values than AZA, whereas compounds 2a, 2b, 2e-g, 2l, and 2n had similar Ki values, compared with AZA. So, the compounds 2a, 2b, 2e-g, 2l, and 2n can be considered as lead mols. of this series for further considerations.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Celik, Hayati; Buyukaga, Mahmure; Celebier, Mustafa; Turkoz Acar, Ebru; Baymak, Melek Sirin; Gokhan-Kelekci, Nesrin; Palaska, Erhan; Erdogan, Hakki published the article 《Determination of pKa Values of Some Benzoxazoline Derivatives and the Structure-Activity Relationship》. Keywords: ionization constant deprotonation benzoxazolinone derivative analgetic antiinflammatory drug SAR.They researched the compound: 6-Acetylbenzo[d]oxazol-2(3H)-one( cas:54903-09-2 ).Recommanded Product: 54903-09-2. 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:54903-09-2) here.

The acid ionization constant (pKa) values of 2-(3H)-benzoxazolinone and its 17 derivatives were determined in buffered solutions by UV-vis spectrophotometry, potentiometry, and capillary zone electrophoresis techniques. The pKa values of the studied compounds were found to be in the range of 9.01 to 7.15. The advantages and limitations of each technique are discussed. The results suggest that the removal of a proton from the mol. occurred on the nitrogen atom of the 2-(3H)-benzoxazolinone ring and the analgesic/anti-inflammatory activities of the benzoxazolinone derivatives decrease when the pKa values of the compounds increase.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

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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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics