Category: 57825-30-6

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(Bromomethyl)-4-ethylbenzene(SMILESS: CCC1=CC=C(CBr)C=C1,cas:57825-30-6) is researched.Application In Synthesis of 5,5′-Dimethyl-2,2′-bipyridine. The article 《Substituent effects on benzylic radical hydrogen hyperfine coupling constants. Part 4. The effect of branching of the alkyl substituent》 in relation to this compound, is published in Canadian Journal of Chemistry. Let’s take a look at the latest research on this compound (cas:57825-30-6).

The substituent effects on the title hfc constants of m- (I) or p-R1C6H4R2• (II; R = H, Me) are discussed and the ESR of II (R = H, Me; R1 = Me, Et, Me2CH, Me3C) are analyzed. ESR and INDO calculations show that hyperconjugation involving the C-C bond is 40-60% as effective as C-H hyperconjugation for delocalizing spin d. 13C NMR of p-R1C6H4C+Me2 shows that C-C hyperconjugation is 75-90% as effective as C-H hyperconjugation for delocalizing charge d. The inductive effect on the hfc were deted. by the LFER with σm for I; the inductive withdrawal of electron d. leads to a decrease in spin delocalization.

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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, Tetrahedron called Construction of polyaromatics via photocyclization of 2-(fur-3-yl)ethenylarenes, using a 3-furyl group as an isopropenyl equivalent synthon, Author is Chen, Ying-Zhe; Ni, Ching-Wen; Teng, Fu-Lin; Ding, Yi-Shun; Lee, Tunng-Hsien; Ho, Jinn-Hsuan, which mentions a compound: 57825-30-6, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11Br, Safety of 1-(Bromomethyl)-4-ethylbenzene.

The construction of different types of substituted arenes was demonstrated through the photocyclization of 2-(fur-3-yl)ethenylarenes using a 3-furyl group as an isopropenyl equivalent synthon in the photocyclization reaction. The furan portion of the photocyclization intermediate could be fragmented via a base-induced elimination reaction to yield a series of substituted polyaromatics, including naphthalene, benzofuran, benzothiophene, phenanthrene, phenalene, acenaphthene, and triphenylene. Using different reagents, this method made it possible to introduce Me or 2-hydroxyethyl groups as substituents at specific positions in these arenes.

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Category: quinoxaline. 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-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Synthesis of novel blue light emitting 9,9′-bianthracene derivatives and their optoelectronic properties.

A series of novel blue light emitting materials 9,9′-bianthracene derivatives have been designed and synthesized by introducing different substituent groups through Suzuki coupling reactions. Their structure was identified by H NMR and UV-Vis absorption and fluorescence emission; Moreover, their fluorescence quantum efficiency and electrochem. properties were characterized in detail. The results indicate that all these compounds emit blue light, compared with 9,9′-bianthracene, the maximum emission peak of these materials is at 453 nm, red shift of 7 nm, and it is the typical blue fluorescence. This is because these derivatives have a non planar geometric structure. These derivatives also present high fluorescence quantum efficiency and are 1.18-1.43 times as much as that of 9,9′-bianthracene. In addition, their redox actives are also improved. Consequently, it was believed that these derivatives are potential ideal blue light fluorescent materials.

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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, Tetrahedron called The nucleophilic silyl radical: dual-parameter correlation analysis of the relative rates of bromine-atom abstraction reactions as measured by a rigorous methodology, Author is Jiang, Xi-Kui; Ding, William Fa-Xiang; Zhang, Yu-Huang, which mentions a compound: 57825-30-6, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11Br, Formula: C9H11Br.

The relative rates [kR(Y)values] of bromine-atom abstraction reactions of 13 p-Y-substituted benzyl bromides (Y = H, Et, tBu, Me3Si, MeS, Ph, F, Cl, Br, CF3, CN, CO2Me, SO2Me) by tris(trimethylsilyl)silyl radicals [(Me3Si)3Si•] in cyclohexane at 80 ° have been measured by a rigorous methodol. Correlation anal. of the kinetic data by the dual-parameter equation (log kY/kH = ρxσ+ρ•σ•) shows that the silyl radical is distinctly nucleophilic and the transition states of the bromine-atom abstraction reactions are affected by both the polar and spin-delocalization effects of the Y-substituents. Comparison of the |ρp/ρJJ•| values suggests that the contribution of the spin-delocalization effects in this Br-atom abstraction reaction may be greater than the spin-delocalization effects in some H-atom abstraction reactions.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists, the main research direction is pyridodione derivative synthesis structure affinity adenosine receptor inflammation.COA of Formula: C9H11Br.

We expanded on a series of pyrido[2,1-f]purine-2,4-dione derivatives as human adenosine A3 receptor (hA3R) antagonists to determine their kinetic profiles and affinities. Many compounds showed high affinities and a diverse range of kinetic profiles. We found hA3R antagonists with very short residence time (RT) at the receptor (2.2 min for II 5) and much longer RTs (e.g., 376 min for I or 391 min for 31). Two representative antagonists (I) and (II) were tested in [35S]GTPγS binding assays, and their RTs appeared correlated to their (in)surmountable antagonism. From a kon-koff-KD kinetic map, we divided the antagonists into three subgroups, providing a possible direction for the further development of hA3R antagonists. Addnl., we performed a computational modeling study that sheds light on the crucial receptor interactions, dictating the compounds’ binding kinetics. Knowledge of target binding kinetics appears useful for developing and triaging new hA3R antagonists in the early phase of drug discovery.

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Liu, Qifa; Wei, Wei; Lu, Ming; Sun, Feng; Li, Jiang; Zhang, Yuchao published an article about the compound: 1-(Bromomethyl)-4-ethylbenzene( cas:57825-30-6,SMILESS:CCC1=CC=C(CBr)C=C1 ).Computed Properties of C9H11Br. 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:57825-30-6) through the article.

In this work, the chloromethylation reaction of aromatic compounds was performed successfully by micellar catalysis in oil/water biphasic system at high reactant loadings that exceeded the solubilization capacity of micellar solutions The effects of cationic, nonionic and anionic surfactants on the reaction were compared. The mechanism of chloromethylation reaction and the mechanism of micellar catalysis were investigated. The results show that the micellar catalysis is an effective way to realize the chloromethylation. The chloromethylation reaction consists of electrophilic substitution reaction and nucleophilic substitution reaction. Cationic surfactants, especially those containing longer hydrophobic carbon chain, are more effective. Selectivity for mono-chloromethylation was remarkably improved and regioselectivity was found to be dependent on the nature of the surfactant. Under the optimal reaction conditions, chloromethylation of isopropylbenzene could obtain 97.5% selectivity in mono-chloromethylation and 8.28 para/ortho selectivity ratio at 89.8% conversion. Good conversion and high selectivity in mono-chloromethylation were obtained.

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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 Reactions in microemulsion media. Nucleophilic substitution reactions of benzyl and p-alkylbenzyl chlorides, the main research direction is alkylbenzyl chloride nucleophilic substitution kinetics; benzyl chloride nucleophilic substitution kinetics; bromide nucleophilic substitution kinetics; microemulsion nucleophilic substitution kinetics; phase diagram microemulsion.Quality Control of 1-(Bromomethyl)-4-ethylbenzene.

The nucleophilic substitution rates of Br- with p-RC6H4CH2Cl (R = H, Et, n-dodecyl) decreased differentially with increasing hexane content in microemulsions formed from ternary hexane systems at constant ratios of the binary mixtures of 1.23:1 (weight/weight) CTAB-1-butanol and 1:5 (weight/weight) KBr-H2O. The kinetics show that the interphase was the microemulsion reactive site. For microemulsions with respect to aqueous micellar and aqueous EtOH reaction mediums, substrate solubilization was higher, initial reaction rates were comparable or a little less, and overall conversions were greater.

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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-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about A one-pot procedure for the synthesis of aromatic aldehydes in a heterogeneous medium.Recommanded Product: 57825-30-6.

Aromatic aldehydes were obtained from halogenated compounds and DMSO in solvent free medium. The method involves a Kornblum’s oxidation of organic halide in mild conditions using microwaves. An inorganic base such as solid potassium bicarbonate is used. The procedure is a smooth alternative to obtain aromatic aldehydes in heterogeneous medium. The important benefits of the method are also the absence of catalysts, the low time, and the good yield of the synthesis.

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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.

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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.

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