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Product Details of 2208-59-5. 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: 2-(Pyridin-4-yl)-1H-benzo[d]imidazole, is researched, Molecular C12H9N3, CAS is 2208-59-5, about Syntheses, Crystal Structures, and Properties of a Series of Coordination Polymers Based on 2-(n-Pyridyl)benzimidazole Ligands (n = 3, 4). Author is Wang, Cheng-Jun; Yue, Ke-Fen; Tu, Zhen-Xing; Xu, Li-Li; Liu, Yong-Liang; Wang, Yao-Yu.

Six new coordination polymers, namely, [Zn(3-PyHBIm)(oba)H2O] (1), [Cd(3-PyHBIm)(oba)H2O] (2), [Ni(3-PyHBIm)(oba)H2O]·3H2O (3), [Zn(4-PyHBIm)(oba)] (4), [Cd(4-PyHBIm)2(oba)]·H2O(5), and [Co(4-PyHBIm)2(oba)]·H2O (6) were synthesized under hydrothermal conditions (3-PyHBIm = 2-(3-pyridyl)benzimidazole; 4-PyHBIm = 2-(4-pyridyl)benzimidazole; oba = 4,4′-oxybis(benzoate)). The compounds were characterized by single crystal x-ray diffraction, IR, and thermogravimetric and elemental analyses. Compounds 1 and 2 contain simple one-dimensional (1D) polymeric chains assembled into a three-dimensional (3D) network through aromatic π-π stacking interactions and hydrogen bonding interactions. Compound 3 contains 1D polymeric chains with side arms which assembled into a two-dimensional (2D) network with channels and further assembled into a 3D network through C-H···π interactions. Compounds 4 and 5 form 1D mol. ladder coordination polymers. Compound 6 consists of 2D coordination networks with 2-fold interpenetration. The luminescence properties of 1, 2, 4, and 5 were studied in the solid state at room temperature

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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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: 110-52-1, is researched, Molecular C4H8Br2, about Rongalite-induced transition-metal and hydride-free reductive aldol reaction: a rapid access to 3,3′-disubstituted oxindoles and its mechanistic studies, the main research direction is oxindole preparation; isatin rongalite transition metal hydride free reductive aldol reaction.Recommanded Product: 110-52-1.

A transition-metal and hydride-free reductive aldol reaction has been developed for the synthesis of biol. active 3,3′-disubstituted oxindoles from isatin derivatives using rongalite. In this protocol, rongalite plays a dual role as a hydride-free reducing agent and a C1 unit donor. This transition metal-free method enables the synthesis of a wide range of 3-hydroxy-3-hydroxymethyloxindoles and 3-amino-3-hydroxymethyloxindoles with 79-96% yields. One-pot reductive hydroxymethylation, inexpensive rongalite (ca. $0.03/1 g), mild reaction conditions and short reaction time are some of the key features of this synthetic method. This protocol is also applicable to gram scale synthesis.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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Singh, R. P. published an article about the compound: Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)methane( cas:132098-59-0,SMILESS:C1(CC2=N[C@@H](C3=CC=CC=C3)CO2)=N[C@@H](C4=CC=CC=C4)CO1 ).Quality Control of Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)methane. 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:132098-59-0) through the article.

The configurations of chloro, Et and bis-complexes of Mg with C2-chiral bis-oxazolines such as 2,2′-methylenebis[(4S)-4-isopropyl-2-oxazoline] (MBIO), 2,2′-methylenebis[(4S)-4-tert-butyl-2-oxazoline] (MBTO) and 2,2′-methylenebis[(4S)-4-phenyl-2-oxazoline] (MBPO) were studied from spectroscopic studies. The IR and NMR (1H, 13C) data suggested that the bis-oxazoline ligands coordinated Mg (II) through both the N atoms. The mol. weight determination in nitrobenzene indicated the dimeric nature of chloro and ethylmagnesium complexes whereas bis-Mg complexes are monomeric.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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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: 29046-78-4, is researched, Molecular C4H10Cl2NiO2, about Scalability of Visible-Light-Induced Nickel Negishi Reactions: A Combination of Flow Photochemistry, Use of Solid Reagents, and In-Line NMR Monitoring, the main research direction is arylmethane preparation; nickel catalyst photochem Negishi coupling benzylic bromide flow reaction; benzylzinc bromide formation observation inline NMR photochem Negishi coupling.Product Details of 29046-78-4.

Photochem. Negishi coupling reactions of benzylic bromides and an aryl bromide and iodide in the presence of NiCl2(glyme) and 4,4′-di-tert-butyl-2,2′-bipyridine using solid activated zinc as reductant were performed on multigram scale using a flow reactor; the benzylzinc bromide intermediates were generated using a column containing the solid activated zinc and their formation was monitored in line using a benchtop NMR spectrometer. Adjusting reaction times and concentrations was critical in maximizing product yield, while the changing the reactor type allowed a significant increase in scale.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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HPLC of Formula: 2208-59-5. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-(Pyridin-4-yl)-1H-benzo[d]imidazole, is researched, Molecular C12H9N3, CAS is 2208-59-5, about 2-(Pyridin-4-yl)-1H-benzimidazole. Author is Geiger, David K.; Bond, Christopher J..

The title compound, C12H9N3, is an unhydrated analog of the previously reported trihydrate. The mol. is essentially planar, with a 3.62(11)° angle between the pyridine and benzimidazole planes. In the crystal, N-H···N H bonds result in chains of mols. parallel to [010], which are addnl. linked by weak π-π stacking interactions [centroid-centroid distance = 3.7469(17) Å], resulting in extended sheets of mols. parallel to (103). Crystallog. data and at. coordinates are given.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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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 Nickel-Catalyzed Regioselective Hydroalkylation and Hydroarylation of Alkenyl Boronic Esters, published in 2019, which mentions a compound: 29046-78-4, Name is Nickel(II) chloride ethylene glycol dimethyl ether complex, Molecular C4H10Cl2NiO2, Formula: C4H10Cl2NiO2.

Metal hydride catalyzed hydrocarbonation reactions of alkenes are an efficient approach to construct new C-C bonds from readily available alkenes. However, the regioselectivity of hydrocarbonation remains challenging to be controlled. In Ni hydride (NiH) catalyzed hydrocarbonation, linear selectivity is most often obtained because of the relative stability of the linear Ni-alkyl intermediate over its branched counterpart. Herein, the boronic pinacol ester (Bpin) group directs a Ni-catalyzed hydrocarbonation to occur at its adjacent C center, resulting in formal branch selectivity. Both alkyl and aryl halides can be used as electrophiles in this hydrocarbonation, providing access to a wide range of secondary alkyl Bpin derivatives, which are valuable building blocks in synthetic chem. The utility of the method is demonstrated by the late-stage functionalization of natural products and drug mols., the synthesis of an anticancer agent, and iterative syntheses.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide, is researched, Molecular C21H14Br4O5S, CAS is 76-60-8, about Development and validation of spectrophotometric methods for determination of leukotriene receptor antagonist montelukast sodium in bulk and pharmaceutical formulations, the main research direction is leukotriene receptor antagonist montelukast sodium bulk pharmaceutical formulation spectrophotometry.Computed Properties of C21H14Br4O5S.

Objective: Simple, sensitive, precise, reproducible, and validated visible spectrophotometric methods have been developed for the determination of leukotriene receptor antagonist drug, namely, montelukast (MNT) sodium in bulk and pharmaceutical preparations Methods: Three spectrophotometric methods are based on the formation of yellow-colored ion-pair complexes between MNT sodium and three dyes, bromocresol green, bromophenol blue, and methyl orange with absorption maxima at 420, 416, and 426 nm, resp. Results: The stoichiometric ratio of the formed ion-pair complexes was found to be 1:1 (drug:reagent) for all methods, as deduced by Job’s method of continuous variation. Several parameters such as pH, buffer type and volume, reagent volume, sequence of addition, and effect of extracting solvent were optimized to achieve high sensitivity, stability, low blank reading, and reproducible results. Under the optimum conditions, linear relationships with good correlation coefficients (0.9993-0.9999) were found over the concentration ranges of 1.0-10, 1.0-12, and 1.0-16μg/mL with a limit of detection of 0.30, 0.29, and 0.27μg/mL for bromocresol green, bromophenol blue, and methyl orange methods, resp. Conclusion: The proposed methods were validated in accordance with ICH guidelines and successfully applied to the anal. of MNT sodium in pharmaceutical formulations. Statistical comparison of the results obtained by applying the proposed methods with those of the reference method revealed good agreement and proved that there was no significant difference in the accuracy and precision between the results.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Flexible application of in synthetic route 1008-89-5

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Phenylpyridine, is researched, Molecular C11H9N, CAS is 1008-89-5, about Synthesis of Bis-heteroaryls Using Grignard Reagents and Pyridylsulfonium Salts, the main research direction is bis heteroaryl preparation; halopyridine pyridylsulfonium salt coupling reaction.COA of Formula: C11H9N.

Herein ligand-coupling reactions of Grignard reagents with pyridylsulfonium salts I (R = H, Br, Me, trifluoromethyl; R1 = H, OMe, CN, Br, etc.; R2 = H, trifluoromethyl; R3 = H, Me; R2R3 = -(CH=CH-CH=CH)-) and phenyl(pyrimidin-2-yl)(p-tolyl)sulfonium trifluoromethanesulfonate are reported. The method has wide functional group tolerance and enables the formation of bis-heterocycle linkages including 2,4′-bipyridines, 2,3′-bipyridines, and 2,2′-bipyridines, as well as pyridines linked to pyrimidines, pyrazines, isoxazoles, and benzothiophenes II (R4 = 2-fluoropyridin-4-yl, pyrazin-2-yl, dimethyl-1,2-oxazol-4-yl, 1-benzothiophen-2-yl, etc.). The methodol. was successfully applied to the synthesis of the natural products caerulomycin A and E.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Discovery of 76-60-8

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Mabrouk, M. M.; Gouda, A. A.; El-Malla, S. F.; Abdel Haleem, D. S. published an article about the compound: 3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide( cas:76-60-8,SMILESS:CC1=C(Br)C(O)=C(Br)C=C1C2(C3=CC(Br)=C(O)C(Br)=C3C)C4=CC=CC=C4S(O2)(=O)=O ).Product Details of 76-60-8. 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:76-60-8) through the article.

The developed methods are based on the formation of ion-pair complexes between vardenafil HCl and dyes, namely, bromocresol green (BCG), bromocresol purple (BCP), bromophenol blue (BPB), bromothymol blue (BTB) and eriochrom black T (EBT) in acidic buffer solutions Different factors affecting the reactions between VARD and the dyes were studied and optimized. The formed complexes were extracted with methylene chloride and measured at 418, 410, 415, 417 and 520 nm using BCG, BCP, BPB, BTB and EBT, resp. The beer’s law was obeyed in the ranges 1.0-10, 1.0-16, 0.5-8.0, 2.0-20 and 1.0-14μg mL-1 for BCG, BCP, BPB, BTB and EBT, resp. under the optimum conditions. The composition of the ion-pairs was found 1:1. The molar absorptivity’s, Sandell’s sensitivity, limits of detection and the limits of quantification were calculated Other method validation parameters, such as accuracy, intra-day and inter-day precision, robustness, ruggedness and selectivity, have been evaluated. The proposed methods have been applied successfully for the anal. of vardenafil HCl in pure and dosage forms. The reliability of the methods was further ascertained by performing recovery studies using the standard addition method. Statistical comparison of the results with the reported method was performed by applying student’s t- and F-tests and no significant statistical differences were obtained.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

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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: 29046-78-4, is researched, SMILESS is COCCOC.Cl[Ni]Cl, Molecular C4H10Cl2NiO2Journal, Article, Dalton Transactions called Heterobimetallic complexes of IrM (M = FeII, CoII, and NiII) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior, Author is Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J., the main research direction is heterobimetallic transition metal diphenylphosphinopyridine complex preparation crystal structure; DFT heterobimetallic transition metal diphenylphosphinopyridine complex; cyclic voltammetry heterobimetallic transition metal diphenylphosphinopyridine complex.HPLC of Formula: 29046-78-4.

Three complexes based on an Ir-M (M = FeII, CoII, and NiII) heterobimetallic core and 2-(diphenylphosphino)pyridine (Ph2PPy) ligand were synthesized via the reaction of trans-[IrCl(CO)(Ph2PPy)2] and the corresponding metal chloride. Their structures were established by single-crystal x-ray diffraction as [Ir(CO)(μ-Cl)(μ-Ph2PPy)2FeCl2]·2CH2Cl2 (2), [IrCl(CO)(μ-Ph2PPy)2CoCl2]·2CH2Cl2 (3), and [Ir(CO)(μ-Cl)(μ-Ph2PPy)2NiCl2]·2CH2Cl2 (4). Time-dependent DFT computations suggest a donor-acceptor interaction between a filled 5dz2 orbital on iridium and an empty orbital on the first-row metal atom, which is supported by UV-visible studies. Magnetic moment measurements show that the first-row metals are in their high-spin electronic configurations. Cyclic voltammetry data show that all the complexes undergo irreversible decomposition upon either reduction or oxidation Reduction of 4 proceeds through an ECE mechanism. While these complexes are not stable to electrocatalysis conditions, the data presented here refine the authors’ understanding of the bonding synergies of the first-row and third-row metals.

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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles