Month: April 2022

Wu, Ting Kai published the article 《Proton chemical shifts of the symmetrically disubstituted pyridines》. Keywords: CHEM SHIFTS PROTON; PYRIDINES SYM DISUBSTITUTED; SHIELDING MECHANISM; PROTON CHEM SHIFTS.They researched the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ).Synthetic Route of C7H3N3. 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:1195-58-0) here.

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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Deziel, Anthony P.; Hoffbauer, Melissa R.; Iluc, Vlad M. published the article 《Square Planar Nucleophilic and Radical Pt(II) Carbenes》. Keywords: planar nucleophilic radical platinum carbene preparation crystal mol structure; crystal mol structure planar nucleophilic radical platinum carbene complex; phosphinophenylmethylene platinum carbene complex preparation mol structure calculation.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Application of 12080-32-9. 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:12080-32-9) here.

A square planar platinum(II) carbene complex [{PC(sp2)P}HPt(PMe3)] ([PC(sp2)P]H = (bis[2-(di-iso-propylphosphino)phenyl]methylene)) was synthesized through the dehydrohalogenation of [{PC(sp3)HP}HPtCl] in a microwave reactor. The tert-Bu substituted analog, [{PC(sp2)P}tBuPt(PMe3)] ([PC(sp2)P]tBu = bis[2-(di-iso-propylphosphino)-4-tert-butylphenyl]methylene), was synthesized via an analogous route. The nucleophilic nature of the carbene carbon was confirmed through DFT calculations and reactivity with HCl. Addnl., [{PC(sp2)P}HPt(PMe3)] was treated with 0.5 equiv of I2 to generate a paramagnetic product, [{PC(sp2)P}HPtI]. The Evans method and EPR spectroscopy revealed that a one-electron oxidation occurred at the carbene carbon, thus generating a persistent radical carbene.

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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: 1195-58-0, is researched, Molecular C7H3N3, about In Situ Generation of Electrolyte inside Pyridine-Based Covalent Triazine Frameworks for Direct Supercapacitor Integration, the main research direction is electrolyte pyridine covalent triazine framework supercapacitor; covalent triazine frameworks; cyclotrimerization; nitrogen heterocycles; supercapacitors; waste prevention.Recommanded Product: Pyridine-3,5-dicarbonitrile.

The synthesis of porous electrode materials is often linked with the generation of waste that results from extensive purification steps and low mass yield. In contrast to porous carbons, covalent triazine frameworks (CTFs) display modular properties on a mol. basis through appropriate choice of the monomer. Herein, the synthesis of a new pyridine-based CTF material is showcased. The porosity and nitrogen-doping are tuned by a careful choice of the reaction temperature An in-depth structural characterization by using Ar physisorption, XPS, and Raman spectroscopy was conducted to give a rational explanation of the material properties. Without any purification, the samples were applied as sym. supercapacitors and showed a specific capacitance of 141 F g-1. Residual ZnCl2, which acted formerly as the porogen, was used directly as the electrolyte salt. Upon the addition of water, ZnCl2 was dissolved to form the aqueous electrolyte in situ. Thereby, extensive and time-consuming washing steps could be circumvented.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called An Annulative Synthetic Strategy for Building Triphenylene Frameworks by Multiple C-H Bond Activations, published in 2017, which mentions a compound: 7661-33-8, mainly applied to unactivated benzene cyclic diaryliodonium bond activation arylation; triphenylene preparation; C−H activation; arylation; diaryliodonium salt; palladium; triphenylene, SDS of cas: 7661-33-8.

C-H activation is a versatile tool for appending aryl groups to aromatic systems. However, heavy demands on multiple catalytic cycle operations and site-selectivity have limited its use for graphene segment synthesis. A Pd-catalyzed one-step synthesis of functionalized triphenylene frameworks is disclosed, which proceeds by 2- or 4-fold C-H arylation of unactivated benzene derivatives A Pd2(dibenzylideneacetone)3 catalytic system, using cyclic diaryliodonium salts as π-extending agents, leads to site-selective inter- and intramol. tandem arylation sequences. Moreover, N-substituted triphenylenes are applied to a field-effect transistor sensor for rapid, sensitive, and reversible alc. vapor detection.

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Cook, Andrew W.; Hrobarik, Peter; Damon, Peter L.; Najera, Daniel; Horvath, Branislav; Wu, Guang; Hayton, Trevor W. published the article 《Synthesis and Characterization of a Linear, Two-Coordinate Pt(II) Ketimide Complex》. Keywords: platinum chloride complex reaction lithium pentylideneamide; linear bicoordinate platinum ketimide complex dimer preparation crystal structure; mol structure linear bicoordinate platinum ketimide complex dimer; optimized geometry linear bicoordinate platinum ketimide complex dimer DFT.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Application of 12080-32-9. 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:12080-32-9) here.

Herein the authors report the synthesis and characterization of a linear, two-coordinate Pt(II) ketimide complex, Pt(N:CtBu2)2 (1), formed via the reaction of PtCl2(1,5-COD) with 2 equiv of Li(N:CtBu2). Also generated in the reaction is the bimetallic complex [(tBu2C:N)Pt(μ-N,C-N:C(tBu)C(Me)2CH2)Pt(N:CtBu2)] (2). Both complexes 1 and 2 were characterized by NMR spectroscopy and x-ray crystallog. Notably, complex 1 exhibits short Pt-N distances (average Pt-N = 1.817 Å) and an unusually deshielded 195Pt chem. shift (δPt = -629 ppm) with a large 1J(195Pt,14N) coupling constant (537 Hz). These data, in combination with a detailed d. functional theory electronic structure anal., reveal highly covalent Pt:N multiple bonds formed by a combination of σ-donation, π-donation, and π-backdonation. Pt(N:CtBu2)2 represents the 1st linear Pt(II) complex to be reported, expanding the scope of Pt(II) coordination chem. beyond the more common square planar and T-shaped geometries.

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Electric Literature of C6H3BrClNO2. 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: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Structure-Activity Relationships for the Glutathione Conjugation of 2-Substituted 1-Chloro-4-nitrobenzenes by Rat Glutathione S-Transferase 4-4. Author is van der Aar, Ellen M.; de Groot, Marcel J.; Bijloo, Greetje J.; van der Goot, Henk; Vermeulen, Nico P. E..

In the present study structure-activity relationships (SAR’s) are described for the exptl. determined kinetic parameters (Km, kcat, and kcat/Km) of the GST 4-4-catalyzed reaction between GSH and 10 2-substituted 1-chloro-4-nitrobenzenes. Steric, lipophilic, and electronic parameters were correlated with the kinetic parameters. Moreover, charge distributions and several energy values were calculated for the substrates and the corresponding Meisenheimer intermediates with MeS- as a model nucleophile for the thiolate anion of GSH and used in the regression analyses. The correlations obtained were compared with the corresponding SAR’s for the base-catalyzed GSH conjugation reaction at pH 9.2. A high correlation coefficient was found between the kinetic parameter ks for the base-catalyzed reaction and the Hammett substituent constant (σp). Much lower correlation coefficients were obtained with kcat and σp and with kcat/Km and σp. Moreover, the reaction constant ρ was significantly higher for the base-catalyzed than for the enzyme-catalyzed reaction. Also, high correlations were found between the kinetic parameters and the charges on the p-nitro substituent in the substrates. When ks was plotted against these charges, a linear relation was found in which the slope was larger than the slope of a corresponding plot with kcat/Km. The Hammett σp can be divided into an inductive (F) and a resonance (R) component. With multiple regression between the kinetic parameters and F and R, higher correlation coefficients were obtained than with σp alone. The observations suggest that the transition states for the base-catalyzed and the GST 4-4-catalyzed GSH conjugation reaction are different. Moreover, single classical physicochem. and computer-calculated mol. parameters and combinations of them can be an alternative approach for examining SAR’s for spontaneous and GST-catalyzed GSH conjugation reactions.

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Application In Synthesis of Dichloro(1,5-cyclooctadiene)platinum(II). 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 2-Adamantyl Complexes of Platinum.

The first adamantyl platinum complexes were isolated and characterized, namely [(COD)Pt(2-Ad)Cl], [(dppe)Pt(2-Ad)Cl], [(COD)Pt(2-Ad)Me] and, [(dppe)Pt(2-Ad)Me] {COD = 1,5- cyclooctadiene, dppe = 1,2-bis(diphenylphosphino)ethane, Ad = adamantyl}. These complexes show considerable stability, including resistance to heating to 125° in solution for several days. It is therefore concluded that previously existing road blocks to synthesizing platinum adamantyls were due to complications in the transmetalation step, and not due to intrinsic instability of the final product. Counterintuitively, the key to successful transmetalation from ZnII onto PtII is imposing slow reaction progress via use of a solvent in which both the platinum chloride precursor and adamantyl anion precursor are poorly soluble

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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-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Rhodium(III)-Catalyzed C-H Vinylation of Arenes: Access to Functionalized Styrenes.Name: 1-(4-Chlorophenyl)pyrrolidin-2-one.

An effective method were developed for Rh(III)-catalyzed direct vinylation of arenes to give functionalized styrenes, using vinyltriethoxysilane as a convenient and inexpensive vinyl source. A wide variety of substrates, including 1-aryl-2-pyrrolidinones, anilines, benzamides and ketones were compatible with this reaction. Moreover, this method can be applied to the two-step synthesis of functionalized indoles. Mechanistic investigation reveals that the reaction probably proceeds through an oxidative Heck/desilylation pathway.

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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.Lu, Hongtao; Geng, Zhiyue; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie researched the compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ).Computed Properties of C6H3BrClNO2.They published the article 《Metal-Free Reduction of Aromatic Nitro Compounds to Aromatic Amines with B2pin2 in Isopropanol》 about this compound( cas:16588-26-4 ) in Organic Letters. Keywords: metal free aromatic nitro reduction bispinacolato diboron isopropanol; aromatic amine preparation green chem. We’ll tell you more about this compound (cas:16588-26-4).

A metal-free reduction of aromatic nitro compounds to the corresponding amines has been achieved by a combination of B2pin2 and KOtBu in isopropanol. A series of nitro compounds containing various reducible functional groups were chemoselectively reduced in good to excellent yields.

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Quality Control 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 Understanding Doping Effects on Electronic Structures of Gold Superatoms: A Case Study of Diphosphine-Protected M@Au12 (M = Au, Pt, Ir). Author is Hirai, Haru; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya.

Dopants into ligand-protected Au superatoms have been hitherto limited to group X-XII elements (Pt, Pd, Ag, Cu, Hg, and Cd). To expand the scope of the dopants to the group IX elements, the authors synthesized unprecedented [IrAu12(dppe)5Cl2]+ [IrAu12; dppe = 1,2-bis(diphenylphosphino)ethane] and [PtAu12(dppe)5Cl2]2+ (PtAu12) and compared their electronic structures with that of [Au13(dppe)5Cl2]3+ (Au13). Single-crystal x-ray diffractometry, 31P{1H} NMR, and Ir L3-edge extended X-ray absorption fine structure anal. of IrAu12 revealed that the single Ir atom is located at the center of the icosahedral IrAu12 core. Electrochem. anal. demonstrated that the energy levels of the highest occupied MOs are upshifted in the order of Au13 < PtAu12 < IrAu12. This trend was qual. explained in such a manner that the jellium core potential at the central position becomes shallower by replacing Au+ with Pt0 and further with Ir-. IrAu12 underwent reversible redox reactions between the charge states of 1+ and 2+. The gradual increase of the energy gap between the HOMO and LUMO in the order of Au13 < PtAu12 < IrAu12 was observed by electrochem. measurement and optical spectroscopy. This study provides a simple guiding principle to tune the electronic structures of heterometal-doped superatoms. The orbital energies of [IrAu12(dppe)5Cl2]+ (IrAu12) and [PtAu12(dppe)5Cl2]2+ (PtAu12) were compared with those of [Au13(dppe)5Cl2]3+ (Au13) by electrochem. anal. The superat. orbitals were shifted up in the order of IrAu12 > PtAu12 > Au13. The result was explained by the upshift of the bottom of the effective potential due to different formal charge states of the dopants. Whereas Au was incorporated as Au+, Ir and Pt were incorporated as Ir- and Pt0, resp.

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