Month: April 2022

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: tert-Butyl 5-bromo-1H-indazole-1-carboxylate, is researched, Molecular C12H13BrN2O2, CAS is 651780-02-8, about Scaffold oriented synthesis. Part 3: Design, synthesis and biological evaluation of novel 5-substituted indazoles as potent and selective kinase inhibitors employing [2+3] cycloadditions.Reference of tert-Butyl 5-bromo-1H-indazole-1-carboxylate.

We report the synthesis and biol. evaluation of 5-substituted indazoles e. g., I and amino indazoles e. g., II as kinase inhibitors. The compounds were synthesized in a parallel synthesis fashion from readily available starting materials employing [2+3] cycloaddition reactions and were evaluated against a panel of kinase assays. Potent inhibitors were identified for numerous kinases such as Rock2, Gsk3β, Aurora2 and Jak2.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ) is researched.Synthetic Route of C7H3N3.Skala, Vratislav; Kuthan, Josef published the article 《Molecular orbital study of the NMR and electronic spectra of monocyanopyridines, dicyanopyridines, and 2,4,6-tricyanopyridine》 about this compound( cas:1195-58-0 ) in Collection of Czechoslovak Chemical Communications. Keywords: mol orbitals cyaonopyridines; cyanopyridines mol orbitals; orbitals mol cyanopyridines; NMR cyanopyridines; electronic spectra cyanopyridines. Let’s learn more about this compound (cas:1195-58-0).

The Hueckel MO and SCF methods gave identical results in the determination of quantum-chem. characteristics of 10 cyanopyridines. A good agreement between the exptl. absorption curves and electronic transitions, calculated by the limited configuration interaction (LCI) method, was obtained in the electronic spectra. In the PMR spectra, there was an improved correlation with the exptl. data in the use of the SCF method only in the case of chem. shifts and π-electron d. The application of the SCF orbitals in the place of Hueckel MO in the LCI calculation of the electronic spectra did not improve significantly the description of the π-electron structure of the compounds studied.

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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, Meditsinskaya Parazitologiya i Parazitarnye Bolezni called Synthesis and study of trichinellocidal activity of some bromine and chlorine derivatives of 8-quinolyloxysalicylanilides, Author is Trusov, S. N.; Sevbo, D. P.; Veretennikova, N. L.; Mikhailitsyn, F. S., which mentions a compound: 16588-26-4, SMILESS is BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl, Molecular C6H3BrClNO2, Related Products of 16588-26-4.

Some title derivatives were synthesized and tested for trichinellocidal activity. N-[3-bromophenyl-4-(5-chloroquinolinoxy)]-3,5-dibromosalicylamide exhibited trichinellocidal activity (in mice infected with decapsulated Trichinella spiralis) that was close to that of mebendazole.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Pyridine-3,5-dicarbonitrile(SMILESS: N#CC1=CC(C#N)=CN=C1,cas:1195-58-0) is researched.Reference of (11bR)-N,N-Bis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine. The article 《A study of solvent effect on photochemically induced reactions between pyridinedicarbonitriles and alkenes: an easy approach to the synthesis of cyclopenta[b or c]pyridines》 in relation to this compound, is published in Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry. Let’s take a look at the latest research on this compound (cas:1195-58-0).

Photochem. induced reactions of pyridinedicarbonitriles and alkenes showed an interesting dependence on solvent polarity. In non-polar solvents ipso-substitution of the cyano groups in positions α or γ to the heterocyclic nitrogen occurred to a larger extent, while in polar solvents the reaction provided a path to the formation of a new ring between the carbon atom of one of the cyano groups and a ring position, forming a cyclopenta[b]pyridine or cyclopenta[c]pyridine derivatives Studies on the multiplicity of the excited state controlling the reaction showed that the singlet state was involved in the ipso-substitution, while the triplet state controlled the formation of the pyridine. An explanation for the solvent effect was given in terms of shift of the excited states with the solvent used. Theor. calculations justified the position of the cyclization, although no correlation was found for the regioisomers ratio. This reaction represented an effective entry to the biol. interesting pyrindine systems.

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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: 12080-32-9, is researched, Molecular C8H12Cl2Pt, about Dynamics of the efficient cyclometalation of the undercoordinated organoplatinum complex [Pt(COD)(neoPh)]+ (neoPh = 2-methyl-2-phenylpropyl), the main research direction is platinum metallacycle cyclooctadiene complex preparation CH activation neophyl ligand; crystal structure platinum metallacycle cyclooctadiene complex; mol structure platinum metallacycle cyclooctadiene complex; cyclometalation mechanism platinum neophyl cyclooctadiene complex potential energy surface.Product Details of 12080-32-9.

Reaction of the organoplatinum complex [Pt(COD)(neoPh)Cl] (neoPh = (2-methyl-2-phenylpropyl)) with Ag(PF6) leads to the undercoordinated cationic complex [Pt(COD)(neoPh)]+ which rapidly and quant. rearranges to the complex [Pt(COD)(κ2-neoPh)] through intramol. cyclometalation. Detailed NMR spectroscopy and single crystal XRD reveal a doubly metalated neoPh ligand. In line with exptl. observations, ab initio mol. dynamics simulations confirm that the cyclometalation reaction is exothermic and has a relatively low free energy barrier. In addition, the simulations provide detailed insight into the reaction mechanism, showing that an intermediate species exists in which the newly formed Pt-C bond coexists with a covalent Pt-H bond involving the leaving proton. The latter is found to eventually transfer onto an acetone solvent mol.

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Safety of Dichloro(1,5-cyclooctadiene)platinum(II). 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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about A sterically congested 1,2-diphosphino-1′-boryl-ferrocene: synthesis, characterization and coordination to platinum. Author is Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Helene; Fleurat-Lessard, Paul; Boudjelel, Maxime; Massou, Stephane; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille.

A new class of tritopic ferrocene-based ambiphilic compounds has been prepared by assembling diphosphino- and boryl-substituted cyclopentadienides at iron. The presence of five sterically demanding substituents on the ferrocene platform induces conformational constraints, as is apparent from XRD and NMR data, but does not prevent the chelating coordination to platinum. The Lewis acid moiety is pendant in both the free ligand and the platinum complex.

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Category: alcohols-buliding-blocks. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Synthesis and metal complexes of a tertiary phosphine, 2-(2-(diphenylphosphaneyl)-1H-imidazol-1-yl)pyridine containing pyridyl and imidazole moieties. Author is Kumar, Saurabh; Balakrishna, Maravanji S..

A tertiary phosphine, [2-{PPh2C3H2N2}C5H4N] (2), containing both imidazole and pyridine moieties was synthesized by the reaction of 2-(1H-imidazol-1-yl)pyridine (1) with BuLi followed by the addition of PPh2Cl. Reactions of 2 with Group 6 metal carbonyls and Group 10 metal salts resulted in chelate complexes [{2-{PPh2C3H2N2}C5H4N}{M(CO)4}] (3, M = Mo; 4, M = W) and [{2-{PPh2C3H2N2}C5H4N}{MCl2}] (5, M = Pd; 6, M = Pt). However, 1:1 reactions of 2 with CuX (X = Cl, Br, I) yielded dinuclear complexes [{2-{PPh2C3H2N2}C5H4N}{CuX}]2 (7, X = Cl; 8, X = Br; 9, X = I) containing [Cu(μ-X)]2 rhombus units, whereas the reaction between 2 and [Cu(NCMe)4]BF4 produced a spirocyclic complex, [{2-{PPh2C3H2N2}C5H4N}2Cu]BF4 (10). The mol. structures of complexes 4, 6 and 8 were determined using x-ray diffraction studies. Upon coordination, the bite angle of the ligand varies from 78.76(6)° (4) to 96.16(2)° (8) due to inherent flexibility associated with the ligand framework as well as the geometries preferred by the metal atoms.

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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, Organometallics called Bimetallic Platinum Group Complexes of a Macrocyclic Pyrazolate/NHC Hybrid Ligand, Author is Pickl, Thomas; Poethig, Alexander, which mentions a compound: 12080-32-9, SMILESS is C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-], Molecular C8H12Cl2Pt, HPLC of Formula: 12080-32-9.

Authors present the synthesis, structural characterization, and photophys. properties of dinuclear PdII and PtII-NHC complexes Pd2L(PF6)2 and Pt2L(PF6)2 based on a macrocyclic calix[4]imidazolylidene[2]pyrazolate ligand obtained by in situ deprotonation of the tetraimidazolium salt H6L(PF6)4. The PtII congener was also prepared by transmetalation from previously published AgI pillarplex Ag8L2(PF6)4. NMR spectroscopy (1H, 13C, 195Pt) combined with SC-XRD studies elucidated the structure of the PdII and PtII complexes in the solid state and in solution The d8 metal ions of both congeners are coordinated in a slightly distorted square-planar arrangement. Similar to the previously reported NiII complex Ni2L(PF6)2, the heavier metal homologues adopt a bent, saddle-shaped structure. As observed for structurally similar PtII complexes in solution, bimetallic Pt2L(PF6)2 showed photoluminescence in the blue region. In the solid state, emission was observed at a similar energy with unusually short lifetimes compared to other monometallic PtII complexes. DFT and TDDFT studies shed light on the nature of the most bathochromic transitions, suggesting a significant pyrazolate- and NHC-centered π-π* character.

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Quality Control of Pyridine-3,5-dicarbonitrile. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Proton chemical shifts of the symmetrically disubstituted pyridines. Author is Wu, Ting Kai.

3,5-Disubstituted pyridines (R2C5H3N, where R = CN, Br, Cl, and Me) and 2,6-disubstituted pyridines (R’2C5H3N, where R’ = NH2, OMe, Me, Cl, Br, and COMe) were studied by N.M.R. spectra to determine the substituent effects on the chem. shifts for further insight into the nature of the shielding mechanisms in the pyridine π-electron system. The additive substituent effects on the proton chem. shifts of the sym. disubstituted pyridines provide further supporting evidence for the interpretation of Wu and Dailey [J. Chem. Phys. 41, 3307(1964)] that the shielding mechanisms in the pyridines are virtually the same as those in benzenes.

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Application of 12080-32-9. 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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Synthesis and photophysical properties of butterfly-shaped dinuclear Pt(II) complex having NHC-based chelate ligands.

A butterfly-shaped dinuclear Pt(II) complex having pyridyl-NHC chelate ligands and bridging Me2pz ligands was synthesized. The crystal structure of the Pt2 complex showed short intramol. Pt···Pt distance (3.129 Å) and unique packing structure containing 1-dimensional infinite pore that was filled with solvent mols. The absorbance was proportional to the concentration of Pt2 complex and no significant bands appeared even in high concentration (up to 100 μM). The Pt2 complex showed bluish-green emission (λmax = 459 nm) in the solid state at 298 K (λex = 330 nm). TD-DFT calculation revealed that the lowest-energy absorption bands are mainly assigned to the combination of metal-to-ligand charge transfer (MLCT) and ligand-to-ligand charge transfer (LLCT) transitions.

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