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Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
Ring-Opening 1, 3-Dichlorination of Donor-Acceptor Cyclopropanes by Iodobenzene Dichloride.
Garve, Lennart KB et al.
Organic Letters, 16(21), 5804-5807 (2014)
M Arivazhagan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 82(1), 332-339 (2011-08-06)
In this work, the experimental and theoretical vibrational spectra of P-Iodobenzene sulfonyl chloride (P-IBSC) were studied. P-IBSC and its derivatives present in many biologically active compounds. Because of their spectroscopic properties and chemical significance in particular, sulfonyl chloride and its
Minfeng Zeng et al.
The Journal of organic chemistry, 75(8), 2556-2563 (2010-03-23)
Palladium-catalyzed reductive homocoupling of aromatic halides can be performed in alcohol solutions without any auxiliary reducing reagents. Pd(dppf)Cl(2) [dppf = 1,1'-bis(diphenylphosphino)ferrocene] has been shown as the most effective catalyst among the palladium catalysts screened for the model reductive homocoupling of
Gavin O Jones et al.
Journal of the American Chemical Society, 132(17), 6205-6213 (2010-04-15)
Computational investigations of ligand-directed selectivities in Ullmann-type coupling reactions of methanol and methylamine with iodobenzene by beta-diketone- and 1,10-phenanthroline-ligated Cu(I) complexes are reported. Density functional theory calculations using several functionals were performed on both the nucleophile formation and aryl halide
Jianli Zou et al.
Chemical communications (Cambridge, England), 47(6), 1803-1805 (2010-12-07)
Palladium nano-crystals increase in size during the initial recycling in Heck cross coupling reactions. We demonstrate that oxygen adsorbed on the surface of palladium nano-crystals plays a pivotal role in driving the ripening. This in turn is associated with a
Tian Tian et al.
The Journal of organic chemistry, 78(2), 728-732 (2012-12-12)
A metal-free method for the direct regioselective fluorination of anilides has been developed. In the presence of bis(tert-butylcarbonyloxy)iodobenzene (PhI(OPiv)(2)) and hydrogen fluoride-pyridine, the para-fluorination products of anilides were obtained in moderate to good yields. Because of its operational safety and
Linhai Jing et al.
Chemical communications (Cambridge, England), 46(26), 4767-4769 (2010-05-22)
Direct hydroxylation of a wide scope of aryl halides was catalyzed by a combination of CuI and lithium pipecolinate in water with yields up to 92%.
Heck reactions of iodobenzene and methyl acrylate with conventional supported palladium catalysts in the presence of organic and/and inorganic bases without ligands.
Zhao, Fengyu et al.
Chemistry?A European Journal , 6(5), 843-848 (2000)
Alessandra Forni et al.
Journal of molecular graphics & modelling, 38, 31-39 (2012-10-23)
The solvent effect on the I⋯O halogen bonding in complexes of iodobenzene derivatives with formaldehyde has been investigated by systematically varying the substituents on the iodobenzene ring. Calculations have been performed at MP2 and DFT levels of theory, using the
Simon K Beaumont et al.
Journal of the American Chemical Society, 132(35), 12246-12248 (2010-08-19)
XPS, TEM, and reaction studies were used to examine the catalytic behavior of gold species deposited on lanthana toward the cross-coupling of phenylacetylene and iodobenzene. Atomically dispersed Au(I) and Au(III) were catalytically inert, whereas metallic Au(0) nanoparticles were both active
Catalysis by gold (I) and gold (III): a parallelism between homo-and heterogeneous catalysts for copper-free Sonogashira cross-coupling reactions.
Gonzalez-Arellano, Camino et al.
Angewandte Chemie (International Edition in English), 46(9), 1536-1538 (2007)
Santhosh Kumar Alla et al.
Organic letters, 15(6), 1334-1337 (2013-03-01)
The oxidative C-H amination of N"-aryl-N'-tosyl/N'-methylsulfonylamidines and N,N'-bis(aryl)amidines has been accomplished using iodobenzene as a catalyst to furnish 1,2-disubstituted benzimidazoles in the presence of mCPBA as a terminal oxidant at room temperature. The reaction is general, and the target products
Wei Liu et al.
Science (New York, N.Y.), 337(6100), 1322-1325 (2012-09-18)
Despite the growing importance of fluorinated organic compounds in drug development, there are no direct protocols for the fluorination of aliphatic C-H bonds using conveniently handled fluoride salts. We have discovered that a manganese porphyrin complex catalyzes alkyl fluorination by
Aleksandra A Zagulyaeva et al.
Organic letters, 12(20), 4644-4647 (2010-09-17)
Alkylcarboxamides can be converted to the respective amines by Hofmann rearrangement using hypervalent iodine species generated in situ from PhI and Oxone in aqueous acetonitrile. On the basis of this reaction, a convenient experimental procedure for the preparation of alkylcarbamates
Kazunori Miyamoto et al.
Chemical communications (Cambridge, England), 48(7), 982-984 (2011-12-14)
The first catalytic version of hypervalent aryl-λ(3)-iodane-induced Hofmann rearrangement of primary carboxamides, which probably involves in situ generation of a tetracoordinated bis(aqua)(hydroxy)phenyl-λ(3)-iodane complex as an active oxidant from a catalytic amount of iodobenzene by the reaction with m-chloroperbenzoic acid in
Lei Liang et al.
Organic letters, 11(15), 3294-3297 (2009-07-04)
N-arylation of imidazoles with aryl halides catalyzed by a combination of copper(II) sulfate and 1,2-bis(2-pyridyl)-ethane-N,N'-dioxide in water afforded up to 95% yield.
Santhosh Reddy Mandha et al.
The Journal of organic chemistry, 77(23), 10648-10654 (2012-11-08)
Oxidative difunctionalization of 2-amino-4H-pyrans was accomplished with iodobenzene diacetate (IBD) and N-chlorosuccinimide (NCS) reagents in alcoholic medium. 2-Amino-4H-pyrans undergo geminal dialkoxylation with the migration of an amino group (1a,b, 2a-i, 3a,b, and 4) in IBD, whereas with NCS addition of
Thomas E Storr et al.
The Journal of organic chemistry, 74(16), 5810-5821 (2009-07-28)
Pd/Cu-mediated direct arylation of 2'-deoxyadenosine with various aryl iodides provides 8-arylated 2'-deoxyadenosine derivatives in good yields. Following significant reaction optimization, it has been determined that a substoichiometric quantity of piperidine (secondary amine) in combination with cesium carbonate is necessary for
Zengyan Wei et al.
Nature communications, 5, 3870-3870 (2014-05-16)
The shape-controlled synthesis of nanoparticles was established in single-phase solutions by controlling growth directions of crystalline facets on seed nanocrystals kinetically; however, it was difficult to rationally predict and design nanoparticle shapes. Here we introduce a methodology to fabricate nanoparticles
Lei Zhou et al.
Organic letters, 14(3), 922-925 (2012-01-26)
Cyclopropylmethyl palladium species can be accessed by Pd-catalyzed reaction of either cyclopropyl N-tosylhydrazone with halide or N-tosylhydrazone with cyclopropyl halide. In both approaches migratory insertion of Pd carbene is the key process. These transformations constitute new approaches toward 1,3-butadiene derivatives.
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
A universal approach to the synthesis of noble metal nanodendrites and their catalytic properties.
Ashok Mohanty et al.
Angewandte Chemie (International ed. in English), 49(29), 4962-4966 (2010-06-12)
Ewa Mieczyńska et al.
Molecules (Basel, Switzerland), 15(4), 2166-2177 (2010-04-30)
Palladium catalysts containing Pd(II) supported on Al2O3 and alumina-based mixed oxides, Al2O3-ZrO2, Al2O3-CeO2, and Al2O3-Fe2O3, are very effective in the Heck coupling of iodobenzene with cyclohexene in DMF solution. The best results, up to 81% of monoarylated products with a
Copper-mediated trifluoromethylation of heteroaromatic compounds by trifluoromethyl sulfonium salts.
Cheng-Pan Zhang et al.
Angewandte Chemie (International ed. in English), 50(8), 1896-1900 (2011-02-18)
Rainer Wilcken et al.
Journal of computer-aided molecular design, 26(8), 935-945 (2012-08-07)
Halogen bonds are specific embodiments of the sigma hole bonding paradigm. They represent directional interactions between the halogens chlorine, bromine, or iodine and an electron donor as binding partner. Using quantum chemical calculations at the MP2 level, we systematically explore
Hui-jun Zhang et al.
Chemical communications (Cambridge, England), 46(39), 7439-7441 (2010-09-11)
Dibenzo[a,c]cyclooctatetraenes were selectively generated in good yields from the palladium-catalyzed [4+4] cyclic homocoupling of borylvinyl iodobenzene derivatives, which were prepared via the selective Suzuki-Miyaura cross-coupling of the gem-diboryl reagents with iodo compounds.
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Shao-Hsien Huang et al.
Molecules (Basel, Switzerland), 15(1), 315-330 (2010-01-30)
A water-soluble and air-stable Pd(NH3)2Cl2/cationic 2,2'-bipyridyl system was found to be a highly-efficient and reusable catalyst for the coupling of aryl iodides and alkenes in neat water using Bu(3)N as a base. The reaction was conducted at 140 degrees C
Tony Ly et al.
Chemical communications (Cambridge, England), 47(10), 2835-2837 (2011-01-25)
Novel p-iodobenzoate-based labelling reagents are shown to be effective photocaged precursors for synthesizing biomolecular radicals site-selectively in the gaseous and condensed phases. In vacuo, a single pulse of UV photons (266 nm) is sufficient to quantitatively photolyse the C-I bond.
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