Category: catalyst-ligand

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《A short and efficient stereoselective synthesis of the potent 5-lipoxygenase inhibitor CMI-977》. Authors are Dixon, Darren J.; Ley, Steven V.; Reynolds, Dominic J.; Chorghade, Mukund S..The article about the compound:(S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-onecas:32780-06-6,SMILESS:O=C1O[C@H](CO)CC1).Electric Literature of C5H8O3. Through the article, more information about this compound (cas:32780-06-6) is conveyed.

A short and efficient synthesis of the potent 5-lipoxygenase inhibitor CMI-977 is described using as the key step a stereoselective anomeric oxygen to carbon rearrangement of an alkynyl stannane tetrahydrofuranyl ether derivative mediated by boron trifluoride etherate.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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 Synthesis of Long-Chain Alkanoyl Benzenes by an Aluminum(III) Chloride-Catalyzed Destannylative Acylation Reaction, published in 2021-07-02, which mentions a compound: 2834-05-1, Name is 11-Bromoundecanoic acid, Molecular C11H21BrO2, Recommanded Product: 2834-05-1.

This paper describeD the facile synthesis of haloaryl compounds with long-chain alkanoyl substituents by the destannylative acylation of haloaryls bearing tri-n-butyltin (Bu3Sn) substituents. The method allowed the synthesis of many important synthons for novel functional materials in a highly efficient manner. The halo-tri-n-butyltin benzenes were obtained by the lithium-halogen exchange of com. available bis-haloarenes and the subsequent reaction with Bu3SnCl. Under typical Friedel-Crafts conditions, i.e., the presence of an acid chloride and AlCl3, the haloaryls were acylated through destannylation. The reactions proceeded fast (<5 min) at low temperatures and thus were compatible with aromatic halogen substituents. Furthermore, the method was applicable to para-, meta- and ortho-substitution and larger systems, as demonstrated for biphenyls. The generated tin byproducts were efficiently removed by trapping with silica/KF filtration and most long-chain haloaryls were obtained chromatog.-free. Mol. structures of several products were determined by X-ray single-crystal diffraction and the crystal packing was investigated by mapping Hirshfeld surfaces onto individual mols. A feasible reaction mechanism for the destannylative acylation reaction was proposed and supported through d. functional theory (DFT) calculations DFT results in combination with NMR-scale control experiments unambiguously demonstrate the importance of the tin substituent as a leaving group, which enables the acylation. This literature about this compound(2834-05-1)Recommanded Product: 2834-05-1has given us a lot of inspiration, and I hope that the research on this compound(11-Bromoundecanoic acid) can be further advanced. Maybe we can get more compounds in a similar way.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Analysis of Nicotine and Non-nicotine Tobacco Constituents in Aqueous Smoke/Aerosol Extracts by UHPLC and Ultraperformance Convergence Chromatography-Tandem Mass Spectrometry.Recommanded Product: (S)-3-(Piperidin-2-yl)pyridine.

The non-nicotine constituents of tobacco may alter the reinforcing effects of nicotine, but the quant. and qual. profiles of these chems. in tobacco products such as electronic cigarettes (e-cigarettes), cigars, and waterpipe tobacco are not well characterized. The objective of this work was to develop and validate anal. methods to utilize saline both as an extraction solvent for smoke condensates from cigarettes, little cigars, and waterpipe tobacco and aerosols from e-cigarettes and as a delivery vehicle of nicotine and non-nicotine constitents for nonclin. pharmacol. studies. Ultrahigh-performance liquid chromatog. was used to analyze nicotine and acetaldehyde, and a novel ultraperformance convergence chromatog.-tandem mass spectrometry method was developed to analyze anabasine, anatabine, cotinine, myosmine, nornicotine, harmane, and norharmane. Linearity was confirmed for each standard curve with correlation coefficients (r) ≥ 0.99, and relative Errors (RE) for the standards were ≤±10% over the calibration ranges. Method validation was performed by preparing triplicate samples in saline to mimic the composition and concentration of each analyte in the smoke or aerosol condensate and were used to determine method accuracy and precision. Relative standard deviation values were ≤15% and mean RE ≤15% for each analyte at each concentration level. Selectivity of the methods was demonstrated by the absence of peaks in blank vehicle or diluent samples. Storage stability was assessed over ~45 days. Precision (%RSD ≤ 13) and recovery (percent of day 0 ≥ 80%) indicated that the saline formulations of all four products could be considered stable for up to ~45 days at 4-8°C. Therefore, the use of saline both as an extraction solvent and as a delivery vehicle adds versatility and improved performance in the study of the pharmacol. effects of constituents from mainstream smoke and aerosols generated from cigarettes, little cigars, waterpipes, and e-cigarettes.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 6-(Piperazin-1-yl)nicotinonitrile(SMILESS: N#CC1=CN=C(N2CCNCC2)C=C1,cas:149554-29-0) is researched.Recommanded Product: (S)-3-(Piperidin-2-yl)pyridine. The article 《Identification and SAR of novel pyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1)》 in relation to this compound, is published in Bioorganic & Medicinal Chemistry Letters. Let’s take a look at the latest research on this compound (cas:149554-29-0).

The discovery of a novel series of pyrrolo[1,2-a]pyrazin-1(2H)-one PARP inhibitors is described. Optimization led to compounds that display excellent PARP-1 enzyme potency and inhibit the proliferation of BRCA deficient cells in the low double-digit nanomolar range showing excellent selectivity over BRCA proficient cancer cells.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Recommanded Product: 4-(p-Tolyl)-2,2:6,2-terpyridine. 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: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about Inductive influence of 4′-terpyridyl substituents on redox and spin state properties of iron(II) and cobalt(II) bis-terpyridyl complexes. Author is Chambers, Joseph; Eaves, Bryan; Parker, Danny; Claxton, Ronald; Ray, Partha S.; Slattery, Spencer J..

Iron and cobalt bis-terpyridine (terpy) complexes were prepared [M(R-terpy)2](PF6)2, where M represents Co(II) and Fe(II), and R is the following terpyridine substituents in order of increasing electron-withdrawing behavior [(C4H8)N, BuNH, HO, MeO, p-MeC6H4, H, Cl, MeSO, MeSO2]. The complexes were prepared to investigate the extent of redox and spin state control that is attainable by simply varying the electron donating/withdrawing influence using a single substituent site on the terpyridine ligand. Cyclic voltammetry was used to assess the substituents influence on the M(III/II) redox couple. A plot of the M(III/II) redox potential (E1/2) vs. the electron donating/withdrawing nature of the substituents (Hammett constants), shows a strong linear trend for both metals; however, the substituents have a stronger influence on the Fe(III/II) couple. Solution magnetic susceptibility measurements at room temperature were carried out using standard NMR methodol. (modified Evans method) where all of the Fe(II) complexes exhibited a diamagnetic, low spin (S = 0) behavior. In the cobalt series where R = H for [Co(R-terpy)2]2+, the complex is known to be near the spin cross-over where the room temperature effective magnetic moment (μeff) in solution is ≈3.1 μB; however, the μeff varies between 2.7 and 4.1 μB depending on the R-substituent.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Thermal desorption-cooled injection system-gas chromatography-mass spectrometry for simultaneous determination of seven kinds of alkaloids and nine kinds of flavor compounds in cigarette.Name: (S)-3-(Piperidin-2-yl)pyridine.

A novel method for determination of seven kinds of alkaloids (isoquinoline, nicotine, 3-(2-pyrrolidinyl) pyridine nornicotine, myosmine, β-nicotyrine, Anabasine, 2,3′-bipyridine, and anabaseine) and nine kinds of flavor compounds (hydrocoumarin, vanillin, coumadin, Et vanillin, Me vanillin, 7-Me coumarin, 7-methoxycoumarin, 7-ethoxy-4-methylcoumarin, and pyranocoumarin) in cigarette by thermal desorption-cooled injection system coupled with gas chromatog.-mass spectrometry (TDU-CIS-GC-MS) was developed. By optimizing the conditions such as TDU (time, temperature, and flow rate of helium gas), CIS temperature, vent time and purge time, the cigarette alkaloid compound could be completely thermal desorption, and the volatile alkaloids and coumarin substances were enriched using the cold injection system. A DB-5 MS chromatog. column was used for separation, and a matrix curve external label method was used to quantify the matrix effect under the selected ion monitoring mode (SIM). The results showed that the linear range of 7 kinds of alkaloids and 9 kinds of flavors was 1-500 μg/L, the linear correlation coefficient (R2) was greater than 0.993, and the limits of detection (LOD) and limits of quantitation (LOQ) were 0.02-0.50 μg/kg and 0.1-2.0 μg/kg, resp. This method was simple, safe with high sensitivity and accuracy, and suitable for the determination of alkaloids and flavor compounds in cigarette, which was very important for the anal. of complex volatile trace substances in heated non-burning cigarette.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 11-Bromoundecanoic acid(SMILESS: O=C(O)CCCCCCCCCCBr,cas:2834-05-1) is researched.Safety of 2-(7-Bromo-1H-indol-3-yl)acetic acid. The article 《Lateral fluoro-substitution driven molecular packing difference in a series of pyridinium-based chiral ionic liquid crystals》 in relation to this compound, is published in Liquid Crystals. Let’s take a look at the latest research on this compound (cas:2834-05-1).

A series of pyridinium-based chiral ionic liquid crystals (ILCs) such as I [X = H, F] and the intermediated, non-ionic ones (NILCs) such as II, were designed and synthesized. All ILCs exhibited enantiotropic SmA phases, while all NILCs exhibit enantiotropic cholesteric and SmA phases. In addition, few of NILCs and ILCs exhibited enantiotropic SmC* phases. Due to the Coulombic force, the clearing points of the ILCs were higher than those of the corresponding NILCs. For ILCs, the lateral fluoro-substitution not only decreased the clearing points, but also drives the formation of bilayer mol. packing structures at the smectic phases.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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.Bhaumik, Chanchal; Das, Shyamal; Saha, Debasish; Dutta, Supriya; Baitalik, Sujoy researched the compound: 4-(p-Tolyl)-2,2:6,2-terpyridine( cas:89972-77-0 ).Application In Synthesis of 4-(p-Tolyl)-2,2:6,2-terpyridine.They published the article 《Synthesis, Characterization, Photophysical, and Anion-Binding Studies of Luminescent Heteroleptic Bis-Tridentate Ruthenium(II) Complexes Based on 2,6-Bis(Benzimidazol-2-yl)Pyridine and 4′-Substituted 2,2′:6′,2” Terpyridine Derivatives》 about this compound( cas:89972-77-0 ) in Inorganic Chemistry. Keywords: ruthenium bisbenzimidazolylpyridine substituted terpyridine complex preparation crystal structure; cyclic voltammetry ruthenium bisbenzimidazolylpyridine substituted terpyridine complex; luminescence ruthenium bisbenzimidazolylpyridine substituted terpyridine complex; anion receptor sensor ruthenium bisbenzimidazolylpyridine substituted terpyridine complex. We’ll tell you more about this compound (cas:89972-77-0).

A series of heteroleptic tridentate ruthenium(II) complexes of composition [(H2pbbzim)Ru(tpy-X)](PF6)2 (1-7), where H2pbbzim = 2,6-bis(benzimidazole-2-yl)pyridine and tpy-X = 4′-substituted terpyridine ligands with X = H, p-methylphenyl (PhCH3), p-bromomethylphenyl (PhCH2Br), p-dibromomethylphenyl (PhCHBr2), p-cyanomethylphenyl (PhCH2CN), p-triphenylphosphonium methylphenyl bromide (PhCH2PPh3Br), and 4′-formylphenyl (PhCHO) groups, was synthesized and characterized by using standard anal. and spectroscopic techniques. These compounds were designed to increase the excited-state lifetime of ruthenium(II) bis(terpyridine)-type complexes. The x-ray crystal structure of a representative compound 2, which crystallized with monoclinic space group P2(1)/c, was determined The absorption spectra, redox behavior, and luminescence properties of the ruthenium(II) complexes were thoroughly studied. All of the complexes display moderately strong luminescence at room temperature with lifetimes at 10-58 ns. Correlations were obtained for the Hammett σp parameter with their MLCT emission energies, lifetimes, redox potentials, proton NMR chem. shifts, etc. The anion binding properties of all the complexes as well as the parent ligand H2pbbzim were studied in acetonitrile using absorption, emission, and 1H NMR spectral studies, and the metalloreceptors act as sensors for F-, AcO-, and to some extent H2PO4-. At a relatively lower concentration of anions, a 1:1 H-bonded adduct is formed; however, in the presence of an excess of anions, stepwise deprotonation of the two benzimidazole N-H fragments occurs, an event which is signaled by the development of vivid colors visible with the naked eye. The receptor-anion binding constants were evaluated. Cyclic voltammetric (CV) measurements carried out in acetonitrile-dimethylformamide (9:1) provided evidence in favor of anion (F-, AcO-) concentration dependent electrochem. responses, enabling 1-7 to act as suitable electrochem. sensors for F- and AcO- ions.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Synthetic Route of C5H8O3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about SmI2 promoted elimination in 5-O-silyl derivatives of D-ribono-1,4-lactone. Author is Zunszain, Patricia A.; Varela, Oscar.

Regioselective silylation of D-ribono-1,4-lactone with 1.1 molar equivalents of tert-butylchlorodiphenylsilane led to the 5-O-silyl derivative (72% yield). The free HO-2 and HO-3 were acetylated or benzoylated to give the products in almost quant. yield. The SmI2-promoted elimination of the 2,3-acyloxy groups was applied to these products. It was proven that the silyloxy group was stable under the reaction conditions, and the butenolide 5-O-tert-butyldiphenylsilyl-2,3-dideoxy-D-glycero-pent-2-eno-1,4-lactone was obtained in over 50% yield. In order to establish its optical purity, the butenolide was hydrogenated and O-desilylated to the (S)-4-hydroxymethyl-1,4-butyrolactone. Alternatively, enantiomerically pure 4-hydroxymethyl-1,4-butyrolactone was prepared from L-glutamic acid. The optical rotations of 4-hydroxymethyl-1,4-butyrolactone from both preparations were very coincident, indicating high optical purity (ee > 05%) for the butenolide.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Xu, Lei; Fang, Xiangjun; Wu, Weijie; Chen, Hangjun; Mu, Honglei; Gao, Haiyan published the article 《Effects of high-temperature pre-drying on the quality of air-dried shiitake mushrooms (Lentinula edodes)》. Keywords: Lentinula drying ketone aldehyde; Formaldehyde; High-temperature pre-drying; Shiitake mushroom.They researched the compound: 5,6-Dihydro-2H-pyran-2-one( cas:3393-45-1 ).Synthetic Route of C5H6O2. 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:3393-45-1) here.

We investigated the relationship between the pre-drying temperature and overall quality of dried shiitake mushrooms (Lentinula edodes). Results showed that high-temperature pre-drying significantly increased the rehydration ratio and hardness of dried shiitake mushrooms, but decreased the degree of shrinkage, degree of browning, and formaldehyde content. The levels of enzyme activity were high throughout the pre-drying process and benefitted the formation of flavoured substances. Furthermore, high-temperatures pre-drying also resulted in a higher content of sulfur compounds These results indicated that the pre-drying processing had significant impacts on the overall quality of dried shiitake mushrooms. This may pave the way for increasing the economic value of dried shiitake mushrooms.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI