Month: March 2022

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: 57825-30-6, is researched, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11BrJournal, Green Chemistry called Photocatalyst- and transition-metal-free α-allylation of N-aryl tetrahydroisoquinolines mediated by visible light, Author is Li, Zhuohua; Ma, Pengju; Tan, Yongzhu; Liu, Yufei; Gao, Min; Zhang, Yujun; Yang, Bo; Huang, Xuan; Gao, Yuan; Zhang, Junmin, the main research direction is alkyl aryl tetrahydroisoquinoline preparation; aryl tetrahydroisoquinoline preparation alkyl bromide allylation photocatalyst.Formula: C9H11Br.

A convenient and efficient α-allylation of N-aryl tetrahydroisoquinolines I (R = H, 4-Br, 3-Me, 4-Et, etc.) has been achieved. This transformation can be realized under only visible light irradiation without the aid of transition metals or photocatalysts. The mechanism involves a novel in situ-generated electron-donor-acceptor (EDA) complex between the N-aryl tetrahydroisoquinolines I and an allyl or a benzyl bromide R1Br (R1 = 2-methylprop-2-en-1-yl, prop-2-en-1-yl, benzyl, 1-phenylethyl, etc.). Irradiation with purple light triggered single-electron transfer (SET) from the N-aryl tetrahydroisoquinolines I to the allyl or benzyl bromide of the EDA complex, induces the formation of the corresponding allyl or benzyl radical and the subsequent radical-radical coupling. This approach represents the first example of a photocatalyst- and transition-metal-free α-allylic and benzylic functionalization of N-aryl tetrahydroisoquinolines I.

Here is just a brief introduction to this compound(57825-30-6)Formula: C9H11Br, more information about the compound(1-(Bromomethyl)-4-ethylbenzene) is in the article, you can click the link below.

Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

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.Panek, Jaroslaw J.; Blaziak, Kacper; Jezierska, Aneta researched the compound: 8-Hydroxyquinoline 1-oxide( cas:1127-45-3 ).Safety of 8-Hydroxyquinoline 1-oxide.They published the article 《Hydrogen bonds in quinoline N-oxide derivatives: first-principle molecular dynamics and metadynamics ground state study》 about this compound( cas:1127-45-3 ) in Structural Chemistry. Keywords: hydrogen bonds quinoline oxide derivatives free energy surface; free energy surface proton motion reproduced unconstrained CPMD. We’ll tell you more about this compound (cas:1127-45-3).

Car-Parrinello mol. dynamics simulations were carried out for 8-hydroxyquinoline N-oxide (1) and 2-carboxyquinoline N-oxide (2) in vacuo and in the solid state. The first-principle approach was employed to intramol. hydrogen bond features present in the studied quinoline N-oxides. Grimme’s dispersion correction was employed throughout the study. Special attention was devoted to the solid-state computations knowing that in the mol. crystals, strong and weak interactions are responsible for spatial organization and mol. properties of mols. On the basis of Car-Parrinello mol. dynamics, it was possible to reproduce the hydrogen bond dynamics as well as to investigate the vibrational features on the basis of Fourier transform of the at. velocity autocorrelation function. The free energy surfaces for proton motion were reproduced by unconstrained CPMD runs as well as by metadynamics. Larger flexibility of the bridge proton in 2 was noticed. The computations are verified by exptl. X-ray and IR data available.

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Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Chloro(1,5-cyclooctadiene)copper(I) dimer( cas:32717-95-6 ) is researched.Related Products of 32717-95-6.Verma, Pritha; Richter, Jeremy M.; Chekshin, Nikita; Qiao, Jennifer X.; Yu, Jin-Quan published the article 《Iridium(I)-Catalyzed α-C(sp3)-H Alkylation of Saturated Azacycles》 about this compound( cas:32717-95-6 ) in Journal of the American Chemical Society. Keywords: saturated azacycle regioselective alkylation alkene iridium amidoxime directing group; iridium regioselective alkylation catalyst. Let’s learn more about this compound (cas:32717-95-6).

Saturated azacycles are commonly encountered in bioactive compounds and approved therapeutic agents. The development of methods for functionalization of the α-methylene C-H bonds of these highly privileged building blocks is of great importance, especially in drug discovery. While much effort has been dedicated towards this goal of using a directed C-H activation approach, the development of directing groups that are both general, as well as practical, remains a significant challenge. Herein, the design and development of novel amidoxime directing groups is described for Ir(I)-catalyzed α-C(sp3)-H alkylation of saturated azacycles using readily available olefins as coupling partners. This protocol extends the scope of saturated azacycles to piperidines, azepane, and tetrahydroisoquinoline that are incompatible with our previously reported directing group. A variety of olefin coupling partners, including previously unreactive di-substituted terminal olefins and internal olefins, are compatible with this transformation. The selectivity for a branched α-C(sp3)-alkylation product is also observed for the first time when acrylate is used as the reaction partner. The development of practical, one-step installation and removal protocols further add to the utility of amidoxime directing groups.

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Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

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 Enantioselective Allylation, Crotylation, and Reverse Prenylation of Substituted Isatins: Iridium-Catalyzed C-C Bond-Forming Transfer Hydrogenation, published in 2009, which mentions a compound: 221012-82-4, mainly applied to benzylisatin stereoselective preparation mechanism; isatin allylacetate allene allylation crotylation prenylation; alkylation transfer hydrogenation iridium catalyst isopropanol, Computed Properties of C38H34N2O4P2.

The first examples of enantioselective catalytic allylations, crotylations, and reverse prenylations of isatin are reported. Unlike conventional allylation methodologies, they have been achieved by isopropanol-mediated transfer hydrogenation without the use of stoichiometric amounts of allylmetal reagents. Activated ketones in the form of substituted isatins were subjected to highly enantioselective carbonyl allylation, crotylation, and reverse prenylation, constituting a convenient synthesis of optically enriched 3-substituted 3-hydroxy-oxindoles, e.g. I.

Here is just a brief introduction to this compound(221012-82-4)Computed Properties of C38H34N2O4P2, more information about the compound((R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine) is in the article, you can click the link below.

Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Reaction of 5-(2-hydroxy-3,5-dinitrophenylazo)-8-hydroxyquinoline N-oxide with copper(II), published in 1979-08-31, which mentions a compound: 1127-45-3, Name is 8-Hydroxyquinoline 1-oxide, Molecular C9H7NO2, Reference of 8-Hydroxyquinoline 1-oxide.

Taking as an example the color reaction between Cu(II) and 5-(2-hydroxy-3,5-dinitrophenylazo-8-hydroxyaquinoline N-oxide (I), the possibility of a new class of anal. reagents based on 8-hydroxyquinoline N-oxide azo compounds was studied. Significant differences were observed when using this class of reagents in complex formation compared to 8-hydroxyquinoline azo derivatives As a result of complex formation I is converted from the azoid form to the quinone-hydrazone form. I reacts with Cu(II) to form a violet-complex in aqueous media and pH 5.9-6.5 with λ maximum at 530 nm. The molar absorptivity of the complex is (9.5 ± 0.1) × 103. The same complex forms in 50% aqueous Me2CO medium at pH 5.5-6.0; λ maximum is at 530 nm with a molar absorptivity of (1.57 ± 0.03) x 104. A rapid extraction-spectrophotometric procedure was developed for Cu determination in Zn alloys and steel by using I. Beer’s law is obeyed up to 1.5 μg Cu/mL. Zn 200; Mn, Ag, and Pb 100; Co 25; and Ni 20; Cl- and NO3- 1000; SO42- 800; and F- 125-fold excess do not interfere; Al, Fe(III), and Cr(III) do. Al and Fe interference can be masked by addition of NaF.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Formula: C38H34N2O4P2. 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: (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine, is researched, Molecular C38H34N2O4P2, CAS is 221012-82-4, about Enantioselective bis-alkoxycarbonylation of styrene catalyzed by novel chiral dipyridylphosphine cationic palladium(II) complexes.

The preparation of new palladium complexes that are composed of a series of chiral dipyridylphosphines have been described. The structure of the complex [{(R)-1}Pd(H2O)2](OTf)2 was unambiguously determined by single-crystal X-ray diffractometry. These complexes were found to be effective in the asym. bis-methoxycarbonylation of styrene, reaching up to 84% e.e. and 79% chemoselectivity for dimethyl-2-phenylsuccinate (DMPS) under the optimal conditions. In addition, the complexes exhibited almost identical enantioselectivity on DMPS.

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Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Zhou, Kai; Zelder, Felix published the article 《Vitamin B12 Mimics Having a Peptide Backbone and Tuneable Coordination and Redox Properties》. Keywords: vitamin B12 mimic preparation redox dissociation equilibrium; cobalt corrin preparation redox dissociation equilibrium.They researched the compound: (S)-Propane-1,2-diamine dihydrochloride( cas:19777-66-3 ).Computed Properties of C3H12Cl2N2. 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:19777-66-3) here.

The coordination chem. and electrochem. properties of vitamin B12 mimics were studied. The model complexes have a peptide linkage between the corrin macrocycle and the axially coordinated dimethylbenzimidazole base. The dimethylbenzimidazole dissociation and Co(III)/Co(II) redox equilibrium were studied in relation to the peptide linking groups.

Here is just a brief introduction to this compound(19777-66-3)Computed Properties of C3H12Cl2N2, more information about the compound((S)-Propane-1,2-diamine dihydrochloride) is in the article, you can click the link below.

Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

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: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Solvent effect on the intramolecular hydrogen bond in 8-quinolinol N-oxide.Safety of 8-Hydroxyquinoline 1-oxide.

Solvent effect on intramol. hydrogen bond in 8-quinolinol N-oxide has been studied by IR, UV, 1H NMR and 13C NMR spectroscopy, dipole moment measurements and quantum-mech. calculations The solute-solvent interactions are of local character and they vary considerably over the range of solvent under study. The results suggest that formation complexes with solvent mols. weaken the intramol. hydrogen bond in 8-quinolinol N-oxide.

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Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Category: quinoxaline. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Syntheses of cytotoxic novel arctigenin derivatives bearing halogen and alkyl groups on aromatic rings. Author is Yamauchi, Satoshi; Wukirsari, Tuti; Ochi, Yoshiaki; Nishiwaki, Hisashi; Nishi, Kosuke; Sugahara, Takuya; Akiyama, Koichi; Kishida, Taro.

The new lignano-9,9′-lactones (α,β-dibenzyl-γ-butyrolactone lignans), which showed the higher cytotoxicity than arctigenin, were synthesized. The well-known cytotoxic arctigenin showed activity against HL-60 cells (EC50 = 12 μM), however, it was inactive against HeLa cells (EC50 > 100 μM). The synthesized (3,4-dichloro, 2′-butoxy)-derivative and (3,4-dichloro, 4′-butyl)-derivative bearing the lignano-9,9′-lactone structures showed the EC50 values of 10 μM and 9.4 μM against HL-60 cells, resp. Against HeLa cells, the EC50 value of the (3,4-dichloro, 4′-butyl) derivative was 27 μM. By comparing the activities with the corresponding 9,9′-epoxy structure (THF compounds), the importance of the lactone structure of (3,4-dichloro, 2′-butoxy)-derivative and (3,4-dichloro, 4′-butyl)-derivative for the higher activities was shown. The substituents on the aromatic ring of the lignano-9,9′-lactones affected the cytotoxicity level, observing more than 10-fold difference.

Here is just a brief introduction to this compound(57825-30-6)Category: quinoxaline, more information about the compound(1-(Bromomethyl)-4-ethylbenzene) is in the article, you can click the link below.

Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

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: 57825-30-6, is researched, Molecular C9H11Br, about 1-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin-2-ones: A Novel Series of Potent Calcium-Sensing Receptor Antagonists, the main research direction is quinazolinone preparation calcium sensing receptor antagonist SAR; osteoporosis PTH release quinazolinone preparation SAR.Synthetic Route of C9H11Br.

Parathyroid hormone (PTH) is an effective bone anabolic agent. However, only when administered by daily s.c. injections exposure of short duration is achieved, a prerequisite for an anabolic response. Instead of applying exogenous PTH, mobilization of endogenous stores of the hormone can be envisaged. The secretion of PTH stored in the parathyroid glands is mediated by a calcium sensing receptor (CaSR) a GPCR localized at the cell surface. Antagonists of CaSR (calcilytics) mimic a state of hypocalcemia and stimulate PTH release to the bloodstream. Screening of the internal compound collection for inhibition of CaSR signaling function afforded 2a (I). In vitro potency could be improved > 1000 fold by optimization of its chem. structure. The binding mode of our compounds was predicted based on mol. modeling and confirmed by testing with mutated receptors. While the compounds readily induced PTH release after iv application a special formulation was needed for oral activity. The required profile was achieved by using microemulsions. Excellent PK/PD correlation was found in rats and dogs. High levels of PTH were reached in plasma within minutes which reverted to baseline in about 1-2 h in both species.

Here is just a brief introduction to this compound(57825-30-6)Synthetic Route of C9H11Br, more information about the compound(1-(Bromomethyl)-4-ethylbenzene) is in the article, you can click the link below.

Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider