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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: 1008-89-5, is researched, SMILESS is C1(C2=CC=CC=C2)=NC=CC=C1, Molecular C11H9NJournal, Article, Angewandte Chemie, International Edition called Mechanochemical Solvent-Free Catalytic C-H Methylation, Author is Ni, Shengjun; Hribersek, Matic; Baddigam, Swarna K.; Ingner, Fredric J. L.; Orthaber, Andreas; Gates, Paul J.; Pilarski, Lukasz T., the main research direction is mechanochem catalytic methylation regioselective synthesis rhodium catalyst; C−H functionalization; arenes; mechanochemistry; organometallics; rhodium.Related Products of 1008-89-5.

The mechanochem., solvent-free, highly regioselective, rhodium-catalyzed C-H methylation of (hetero)arenes is reported. The reaction shows excellent functional-group compatibility and is demonstrated to work for the late-stage C-H methylation of biol. active compounds The method requires no external heating and benefits from considerably shorter reaction times than previous solution-based C-H methylation protocols. Addnl., the mechanochem. approach is shown to enable the efficient synthesis of organometallic complexes that are difficult to generate conventionally.

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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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Electric Literature of C12H9N3. 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: 2-(Pyridin-4-yl)-1H-benzo[d]imidazole, is researched, Molecular C12H9N3, CAS is 2208-59-5, about Performance and theoretical study on corrosion inhibition of 2-(4-pyridyl)-benzimidazole for mild steel in hydrochloric acid.

Inhibition performance of 2-(4-pyridyl)-benzimidazole (PBI) against corrosion of mild steel in 1.0 M HCl was studied by weight loss and electrochem. measurements. The inhibition efficiency increased with increasing inhibitor’s concentration, but decreased with the increase in temperature and concentration of the acid. The theor. results from DFT and MD simulations reveal that adsorption of PBI depends on the formation of coordinative bonds between PBI mol. and Fe surface, and the binding energy between PBI mol. and Fe surface is the highest among the three studied compounds

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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: 1008-89-5, is researched, Molecular C11H9N, about Rigid Bridge-Confined Double-Decker Platinum(II) Complexes Towards High-Performance Red and Near-Infrared Electroluminescence, the main research direction is platinum double decker bridge confined red near IR electroluminescence; NIR emission; OLEDs; metallophilicity; platinum complexes; red emission.Related Products of 1008-89-5.

A mol. design to high-performance red and near-IR (NIR) organic light-emitting diodes (OLEDs) emitters remains demanding. Herein dinuclear Pt(II) complexes featuring strong intramol. Pt···Pt and π-π interactions were developed by using N-deprotonated α-carboline as a bridging ligand. The complexes in doped thin films exhibit efficient red to NIR emission from short-lived (τ = 0.9-2.1 μs) triplet metal-metal-to-ligand charge transfer (3MMLCT) excited states. Red OLEDs demonstrate high maximum external quantum efficiencies (EQEs) of ≤23.3% among the best PtII-complex-doped devices. The maximum EQE of 15.0% and radiance of 285 W sr-1 m-2 for NIR OLEDs (λEL = 725 nm) are unprecedented for devices based on discrete mol. emitters. Both red and NIR devices show very small efficiency roll-off at high brightness. Appealing operational lifetimes also were revealed for the devices. This work sheds light on the potential of intramol. metallophilicity for long-wavelength mol. emitters and electroluminescence.

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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 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 Inorganic and Organometallic Polymers and Materials called Syntheses, Structures and Luminescent Properties of Three new Zinc(II) Complexes Constructed from Dicarboxylate and N-donor Coligands, Author is Xue, Ting, which mentions a compound: 2208-59-5, SMILESS is C1(C2=CC=NC=C2)=NC3=CC=CC=C3N1, Molecular C12H9N3, Application In Synthesis of 2-(Pyridin-4-yl)-1H-benzo[d]imidazole.

Three new metal coordination polymers, [Zn(oba)(bim)]n (1), [Zn(oba)(2,2′-bipy)]n (2) and [Zn(oba)(pbim)]n (3) [H2oba = 2-(4-carboxyphenoxy)benzoic acid, bim = benzimidazole, 2,2′-bipy = 2,2′-bipyridine and pbim = 2-(4-Pyridyl)benzimidazole], were synthesized and structurally characterized by elemental anal., IR and x-ray diffraction. Compound 1 is a two-dimensional supramol. framework, which is connected by one-dimensional chains through hydrogen bonding interactions. In compound 2, an alternate arrangement of the right- and left-handed helical chains through interchained π-π stacking interactions, formed a two-dimensional supramol. framework. Compound 3 exhibited a 2D → 3D interdigital architecture with side arms. In compounds 1, 2 and 3, the oba2- ligands act as bridging ligands exhibiting three coordination modes to link metal ions; i.e., bis-monodentate, bidentate chelating and monodentate modes. The luminescent properties of 1, 2 and 3, were also studied.

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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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Dayanidhi, P. David; Vaidyanathan, V. G. published an article about the compound: 2-Phenylpyridine( cas:1008-89-5,SMILESS:C1(C2=CC=CC=C2)=NC=CC=C1 ).Recommanded Product: 1008-89-5. 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:1008-89-5) through the article.

Mutagenic agents such as aromatic amines undergo metabolic activation and produce DNA adducts at C8 position of guanine bases. N-2-acetylaminofluorene (AAF) generates different mutational outcomes when placed at G1, G2, and G3 of a NarI sequence (-G1G2CG3CC/T-). These outcomes are dictated by the conformations adopted by these adducts. Detection of such lesions is of considerable interest owing to their hazardous effects. Here, we report the synthesis of three cyclometalated [Ir(L)2dppz]+ complexes (L = 2-phenylpyridine (ppy) 1; benzo[h]quinoline (bhq) 2; 2-phenylquinoline (pq) 3; dppz = dipyrido[3,2-a:2,3-c]phenazine) and their interaction with AAF adducted NarI DNA. Remarkably, complexes 1 and 2 displayed dominant 3LC transition characteristic of polar environment despite binding to the adducted sites. On the other hand, complex 3 binds to NarI sequences and behaves as a luminescent reporter for AAF-modified DNA. The results reported here emphasize that mol. light switching phenomenon can be stimulated by switching ancillary ligands and might act as potential probes for covalent-DNA defects.

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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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Computed Properties of C12H9N3. 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: 2-(Pyridin-4-yl)-1H-benzo[d]imidazole, is researched, Molecular C12H9N3, CAS is 2208-59-5, about Syntheses and crystal structures of four silver(I) complexes based on 2-(4-pyridyl)benzimidazole.

Four new Ag(I) complexes constructed with 2-(4-pyridyl)benzimidazole, namely, [Ag(PyBIm)(H2O)]·NO3 (1), [Ag(PyBIm)(H2O)]·ClO4 (2), [Ag2(PyBIm)2](SiF6)·2H2O (3) and [Ag(PyBIm)(HBDC)] (4) (PyBIm = 2-(4-pyridyl)benzimidazole, BDC = 1,3-benzenedicarboxylate) were synthesized and characterized by x-ray crystallog. All the Ag(I) atoms in complexes 1-4 are bridged by the different PyBIm ligands via NPy and NBIm into 1-dimensional zigzag chains. The anions do not coordinate to the Ag(I) atoms and only act as counterions in complexes 1-3. Due to the anions, different H bonding systems are found in those three compounds, resulting in the different crystal packing. Through H bonding interactions, the structures of complexes 1-3 display a double layer, a three-dimensional framework and a novel double chain, resp. In complex 4, the HBDC- anions act not only as a counterion, but also as bridging ligands, which lead the zigzag [Ag2(PyBIm)2]∞ chain into a two-dimensional undulating sheet. The sheets are connected through H-bonding as well as π-π interactions into a three-dimensional framework. The thermal stabilities of the four complexes and anion exchange properties of complexes 2 and 3 were also studied.

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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: 2-Phenylpyridine, is researched, Molecular C11H9N, CAS is 1008-89-5, about Selective Halogenation of Pyridines Using Designed Phosphine Reagents, the main research direction is regioselective halogenation pyridine phosphine phosphonium salt mol modeling; halopyridine preparation.Name: 2-Phenylpyridine.

Halopyridines are key building blocks for synthesizing pharmaceuticals, agrochems., and ligands for metal complexes, but strategies to selectively halogenate pyridine C-H precursors are lacking. We designed a set of heterocyclic phosphines that are installed at the 4-position of pyridines as phosphonium salts and then displaced with halide nucleophiles. A broad range of unactivated pyridines can be halogenated, and the method is viable for late-stage halogenation of complex pharmaceuticals. Computational studies indicate that C-halogen bond formation occurs via an SNAr pathway, and phosphine elimination is the rate-determining step. Steric interactions during C-P bond cleavage account for differences in reactivity between 2- and 3-substituted pyridines.

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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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Product Details of 2208-59-5. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-(Pyridin-4-yl)-1H-benzo[d]imidazole, is researched, Molecular C12H9N3, CAS is 2208-59-5, about fac-Re(CO)3 core-based complex featuring benzimidazole as pendant motif from hydroxyquinoline and pyridylbenzimidazole. Author is Priyatharsini, Maruthupandiyan; Mishra, Isha; Shankar, Bhaskaran; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman; Sathiyendiran, Malaichamy.

Neutral heteroleptic acyclic complex, fac-[Re(CO)3(OQN)(pybimz)] (1), possessing free benzimidazole motif remotely is reported. The complex was obtained from 8-hydroxyquinoline (HOQN), 2-(4′-pyridyl)benzimidazole (pybimz), and Re2(CO)10. The structure of 1 was confirmed using single crystal x-ray diffraction (SCXRD) anal. The crystal structure of 1 is stabilized by various types of intermol. noncovalent interactions (π(OqN) ···π(OqN), NHĈH(pybimz)···O(OqN)-Re, and C-H(pybimz)···O≃C-Re). The extended H-bonding contacts between the mols. (C-H(pybimz)···O≃C-Re) in the crystal structure result in the cavity containing polymeric network structure in which toluene mols. reside. The solvent toluene mols. occupy ∼35% of the unit cell volume of the crystal. The absorption properties of the complex was studied both exptl. and theor.

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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: 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

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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