Author: tianli

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ) is researched.Product Details of 16588-26-4.Jorgensen, William L.; Bollini, Mariela; Thakur, Vinay V.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S. published the article 《Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase》 about this compound( cas:16588-26-4 ) in Journal of the American Chemical Society. Keywords: HIV Reverse Transcriptase inhibitor antiaids pyrimidinyl benzonitrile analog preparation. Let’s learn more about this compound (cas:16588-26-4).

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) that interfere with the replication of human immunodeficiency virus (HIV) are being pursued with guidance from mol. modeling including free-energy perturbation (FEP) calculations for protein-inhibitor binding affinities. The previously reported pyrimidinylphenylamine 1 (I) and its chloro analog 2 are potent anti-HIV agents; they inhibit replication of wild-type HIV-1 in infected human T-cells with EC50 values of 2 and 10 nM, resp. However, they show no activity against viral strains containing the Tyr181Cys (Y181C) mutation in HIV-RT. Modeling indicates that the problem is likely associated with extensive interaction between the dimethylallyloxy substituent and Tyr181. As an alternative, a phenoxy group is computed to be oriented in a manner diminishing the contact with Tyr181. However, this replacement leads to a roughly 1000-fold loss of activity for 3 (2.5 μM). The present report details the efficient, computationally driven evolution of 3 to novel NNRTIs with sub-10 nM potency toward both wild-type HIV-1 and Y181C-containing variants. The critical contributors were FEP substituent scans for the phenoxy and pyrimidine rings and recognition of potential benefits of addition of a cyanovinyl group to the phenoxy ring.

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Recommanded Product: 12080-32-9. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Confined Spaces in [n]Cyclo-2,7-pyrenylenes. Author is Grabicki, Niklas; Nguyen, Khoa T. D.; Weidner, Steffen; Dumele, Oliver.

A set of strained aromatic macrocycles based on [n]cyclo-2,7-(4,5,9,10-tetrahydro)pyrenylenes is presented with size-dependent photophys. properties. The K-region of pyrene was functionalized with ethylene glycol groups to decorate the outer rim and thereby confine the space inside the macrocycle. This confined space is especially pronounced for n=5, which leads to an internal binding of up to 8.0×104 M-1 between the ether-decorated [5]cyclo-2,7-pyrenylene and shape-complementary crown ether-cation complexes. Both the ether-decorated [n]cyclo-pyrenylenes as well as one of their host-guest complexes have been structurally characterized by single-crystal X-ray anal. In combination with computational methods the structural and thermodn. reasons for the exceptionally strong binding have been elucidated. The presented rim confinement strategy makes cycloparaphenylenes an attractive supramol. host family with a favorable, size-independent read-out signature and binding capabilities extending beyond fullerene guests.

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Recommanded Product: tert-Butyl 5-bromo-1H-indazole-1-carboxylate. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: tert-Butyl 5-bromo-1H-indazole-1-carboxylate, is researched, Molecular C12H13BrN2O2, CAS is 651780-02-8, about Discovery of inhibitors of plasminogen activator inhibitor-1: Structure-activity study of 5-nitro-2-phenoxybenzoic acid derivatives. Author is Pandya, Vrajesh; Jain, Mukul; Chakrabarti, Ganes; Soni, Hitesh; Parmar, Bhavesh; Chaugule, Balaji; Patel, Jigar; Joshi, Jignesh; Joshi, Nirav; Rath, Akshyaya; Raviya, Mehul; Shaikh, Mubeen; Sairam, Kalapatapu V. V. M.; Patel, Harilal; Patel, Pankaj.

Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents.

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Electric Literature of C10H10ClNO. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about New synthesis of N-aryl- and N-alkylpyrrolidones, and some of their properties. Author is Kukalenko, S. S.; Gracheva, N. A..

N-Aryl pyrrolidinones (I) [R = 2,3-Me2C6H3, 2-ClC6H4, 4-ClC6H4, 3,4-Cl2C6H3, 4-BrC6H4, and 2,4-(MeO)BrC6H3] were prepared with 85-98% yield by heating equimolar amounts of γ-butyrolactone (II) and hydrochlorides of primary aromatic amines at 60-210° for 4-20 hr. The reaction of II with hydrochlorides of aliphatic amines proceeds with difficulty and the yield of the corresponding N-alkyl pyrrolidinones is 20-33%. All the pyrrolidinones are active fungicides.

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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 Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH:CH2]2 and the Impact of Ligand Design on the Deposition Process, the main research direction is platinum alkenyl complex preparation MOCVD crystal mol structure; butenyl pentenyl hexenyl platinum complex preparation crystal mol structure.Name: Dichloro(1,5-cyclooctadiene)platinum(II).

authors describe the synthesis and characterization of three platinum(II) ω-alkenyl complexes of stoichiometry Pt[CH2CMe2(CH2)xCH:CH2]2 where x is 0, 1, or 2, as well as some related platinum(II) compounds formed as byproducts during their synthesis. The ω-alkenyl ligands in all three complexes, cis-bis(η1,η2-2,2-dimethylbut-3-en-1-yl)platinum (2), cis-bis(η1,η2-2,2-dimethylpent-4-en-1-yl)platinum (3), and cis-bis(η1,η2-2,2-dimethylhex-5-en-1-yl)platinum (4), bind to Pt by a Pt-alkyl sigma bond at one end of the ligand chain and a Pt-olefin pi interaction at the other; the olefins reversibly decomplex from the Pt centers in solution The good volatility of 3 (10 mTorr at 20°), its ability to be stored for long periods without decomposition, and its stability toward air and moisture make it an attractive platinum chem. vapor deposition (CVD) precursor. CVD of thin films from 3 shows no nucleation delay on several different substrates (SiO2/Si, Al2O3, and VN) and gives films that are unusually smooth. At 330° in the absence of a reactive gas, the precursor deposits platinum containing 50% carbon, but in the presence of a remote oxygen plasma, the amount of carbon is reduced to below the Rutherford backscattering spectroscopy (RBS) detection limit without affecting the film smoothness. Under hot wall CVD conditions at 250° in the absence of a co-reactant, 72% of the carbon atoms in 3 are released as hydrogenated products (largely 4,4-dimethylpentenes), 22% are released as dehydrogenated products (all of which are the result of skeletal rearrangements), and 6% remain in the film. Some conclusions about the CVD mechanism are drawn from this product distribution.

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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 ).Synthetic Route of C8H12Cl2Pt. 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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Recommanded Product: 7661-33-8. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Facile CuI-catalyzed arylation of azoles and amides using simple enaminones as efficient ligands. Author is Cheng, Cungui; Sun, Gonglei; Wan, Jieping; Sun, Cuirong.

(E)-3-(Dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one was found to be an excellent ligand for copper-catalyzed N-arylation of azoles and amides with aryl halides under mild conditions. The reaction took place at 82 °C in MeCN with broad functional-group compatibility. A combination of the ligand and CuI proved to be an efficient catalytic system to promote the coupling reactions of aryl halides with azoles and amides.

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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 Electrochemical reduction of cyanopyridines. General mechanism, published in 1972, which mentions a compound: 1195-58-0, Name is Pyridine-3,5-dicarbonitrile, Molecular C7H3N3, Related Products of 1195-58-0.

Electrochem. reduction of mono- and dicyanopyridines at a Hg electrode proceded via intermediates containing a cyclic π-electron septet formed after uptake of the 1st electron; these intermediates underwent either protonation, dimerization, or further 1-electron reduction, depending on the position of the cyano group(s), the acidity of the medium, and the electrode potential. This mechanism was substantiated by LCAO-MO and SCF calculations; the exptl. half-wave potentials were correlated to the energy of the lowest free MO of the substrate.

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Product Details of 16588-26-4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about GDC-0449-A potent inhibitor of the hedgehog pathway. [Erratum to document cited in CA151:550392]. Author is Robarge, Kirk D.; Brunton, Shirley A.; Castanedo, Georgette M.; Cui, Yong; Dina, Michael S.; Goldsmith, Richard; Gould, Stephen E.; Guichert, Oivin; Gunzner, Janet L.; Halladay, Jason; Jia, Wei; Khojasteh, Cyrus; Koehler, Michael F. T.; Kotkow, Karen; La, Hank; LaLonde, Rebecca L.; Lau, Kevin; Lee, Leslie; Marshall, Derek; Marsters, James C.; Murray, Lesley J.; Qian, Changgeng; Rubin, Lee L.; Salphati, Laurent; Stanley, Mark S.; Stibbard, John H. A.; Sutherlin, Daniel P.; Ubhayaker, Savita; Wang, Shumei; Wong, Susan; Xie, Minli.

On page 1, lines 59 -62 are incorrect; the correct versions of the lines are given. On page 5 lines 220-225 are incorrect; the correct versions of the lines are given. In addition, References 25, citing K Sasai et al., (2006) and 26, citing JT Romer et al., (2004), were erroneous omitted.

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Recommanded Product: 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 Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors. Mechanistic Studies of the Thermolysis of Pt[CH2CMe2CH2CH=CH2]2 in Solution and the Origin of Rapid Nucleation. Author is Liu, Sumeng; Zhang, Zhejun; Abelson, John R.; Girolami, Gregory S..

Cis-bis(η1,η2-2,2-dimethylpent-4-en-1-yl)platinum, Pt[CH2CMe2CH2CH=CH2]2 (3), is a recently discovered CVD precursor for the deposition of highly smooth Pt thin films without nucleation delays on a variety of substrates. This paper describes detailed mechanistic studies of the pathway by which 3 reacts upon being heated in solution In various solvents between 90 and 130°, 3 decomposes to generate ~1 equiv of 4,4-dimethylpentenes by addition of a H atom to the pentenyl ligands in 3. The extra H atoms arise by dehydrogenation of other pentenyl ligands; some of these dehydrogenated ligands are released as Me-substituted methylenecyclobutanes and cyclobutenes. A combination of isotope labeling and kinetic studies suggests that 3 decomposes by C-H activation of both allylic and olefinic C-H bonds to give transient Pt hydride intermediates, followed by reductive elimination steps to form the pentene products, but that the exact mechanism is solvent-dependent. In C6F6, solvent association occurs before C-H bond activation, and the rate-determining step for thermolysis is most likely the formation of a Pt σ complex. In hydrocarbon solvents, the solvent is little involved before C-H bond activation, and the rate-determining step is most likely the formation of a Pt σ complex only for γ-C-H and ε-C-H bond activation, but cleavage or formation of a C-H bond for δ-C-H bond activation. A comparison of the thermolysis reactions under CVD conditions and in solution suggests that the high smoothness of the CVD-grown films is due in part to rapid nucleation (which is a consequence of the availability of low-barrier C=C bond dissociation pathways) and in part to the formation of C-containing species that passivate the Pt surface.

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