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排序方式: 共有328条查询结果,搜索用时 62 毫秒
31.
A one-step approach to the biologically interesting 3-aminoazetidines is described. The reaction concerns a ring transformation of 1-arylsulfonyl-2-(halomethyl)aziridines with aliphatic amines under various reaction conditions. 相似文献
32.
Mohammad Salim Hidenori UbukataTakao Kimura Michinori Karikomi 《Tetrahedron letters》2011,52(49):6591-6593
The reaction of helical quinone with alcohols in the presence of Brønsted acid such as para-toluenesulfonic acid (pTSA) or HCl proceeded smoothly to produce the corresponding alkoxy substituted oxa[9]helicenes in good yields. 相似文献
33.
This study describes the framework of the quantum mechanical (QM)/Monte Carlo (MC)/free‐energy perturbation (FEP) method, a FEP method based on MC simulations using quantum chemical calculations. Because a series of structures generated by interpolating internal coordinates between transition state and reactant did not produce smooth free‐energy profiles, we used structures from the intrinsic reaction coordinate calculations. This method was first applied to the Diels–Alder reaction between methyl vinyl ketone and cyclopentadiene and produced ΔG values of 20.1 and 21.4 kcal mol?1 in aqueous and methanol solutions, respectively. They are very consistent with the experimentally observed values. The other two applications were the free‐energy surfaces for the Cope elimination of N,N‐dimethyl‐3‐phenylbutan‐2‐amine oxide in aqueous, dimethyl sulfoxide, and tetrahydrofuran solutions, and the Kemp decarboxylation of 6‐hydroxybenzo‐isoxazole‐3‐carboxylic acid in aqueous, dimethyl sulfoxide, and CH3CN solutions. The calculated activation free energies differed by less than 1.8 kcal mol?1 from the experimental values for these reactions. Although we used droplet models for the QM/MC/FEP simulations, the calculated results for three reactions are very close to the experimental data. It was confirmed that most of the interactions between the solute and solvents can be described using small numbers of solvent molecules. This is because a few solvent molecules can produce large portions of the solute–solvent interaction energies at the reaction centers. When we confirmed the dependency on the droplet sizes of solvents, the QM/MC/FEP for a large droplet with 106 water molecules produced a ΔG value similar to the experimental values, as well as that for a small droplet with 34 molecules. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011 相似文献
34.
35.
Ohmura T Oshima K Suginome M 《Angewandte Chemie (International ed. in English)》2011,50(52):12501-12504
Double take: β-Borylallylsilanes have been synthesized by the regioselective silaboration of terminal alkynes followed by palladium-catalyzed double-bond migration of the resulting β-borylalkenylsilanes. The stereoselectivity of the double-bond migration can be controlled by additives, thus leading to the stereocomplementary synthesis of (E)- and (Z)-β-borylallylsilanes. 相似文献
36.
37.
Michinori Karikomi Mari Yamada Hirohiko Houjou Kazuhisa Hiratani Tadao Uyehara 《Tetrahedron letters》2005,46(35):5867-5869
Oxidative coupling reaction of both 3-hydroxychrysene and 2-hydroxybenzo[c]phenanthrene by using Cu(NO3)2-3H2O under atmospheric air is described. The former gave the aimed coupled biaryl derivative. However, the latter gave a further oxidized helical quinone derivative. The unique helical structure was characterized by X-ray and NMR analysis. 相似文献
38.
Novel stereospecific isomerization of 2-(1-bromoalkyl)-1-sulfonylaziridines into 2-(bromomethyl)-3-alkyl-1-sulfonylaziridines using magnesium bromide is described. The suitable choice of solvent led to good yields and diastereoselectivites. 相似文献
39.
H.‐H. Klauß M. Hillberg W. Wagener M. Birke F.J. Litterst E. Schreier A. Kratzer G.M. Kalvius Y. Haga T. Suzuki 《Hyperfine Interactions》1997,104(1-4):177-180
We report on zero field and longitudinal field μSR experiments on a CeAs single crystal between 3.3 and 12 K. Below the antiferromagnetic
transition at 7.5 K a spontaneously precessing signal with a saturation frequency of \approx25 MHz representing the full sample
amplitude has been found. From an analysis of the field dependence of the relaxation rate of this signal in \langle 100\rangle
and \langle 110\rangle crystal orientation parallel to the muon spin and the applied longitudinal field, a \langle 100\rangle
orientation of the local field at the muon site is concluded. This supports an AF‐I single‐\veck magnetic ordering.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
40.