Search results for "Butane"
showing 10 items of 184 documents
13C NMR study of some polychloro-isobutane and -isobutene compounds
1984
The 13C chemical shifts and the carbon–proton coupling constants have been determined for some chlorinated isobutane and isobutene compounds. The one-bond coupling constants in isobutane derivatives showed a regular increase with an increasing number of γ-chlorine substituents. The three-bond coupling constant of the methyl carbon decreased from 4.2 to 2.0 Hz as the number of chlorine substituents in the γ-position increased. In the isobutene compounds, the vicinal coupling of C-1 was larger to protons in a group that is trans with respect to a chlorine substituent on C-1 than to those in the corresponding group cis to the chlorine. The vicinal coupling constants between atoms in geminal gr…
Gold(I)-Catalyzed Intermolecular Cycloaddition of Allenamides with α,β-Unsaturated Hydrazones: Efficient Access to Highly Substituted Cyclobutanes
2014
α,β-Unsaturated N,N-dialkyl hydrazones undergo a mild [2 + 2] cycloaddition to allenamides when treated with a suitable gold catalyst. The method, which represents the first application of N,N-dialkyl hydrazones in gold catalysis, is compatible with a wide variety of substituents at the alkenyl moiety of the hydrazone component, proceeds with excellent levels of regio- and diastereoselectivity, and provides densely substituted cyclobutanes with good to excellent yields.
CCDC 210702: Experimental Crystal Structure Determination
2003
Related Article: C.Capacchione, A.Proto, H.Ebeling, R.Mulhaupt, K.Moller, T.P.Spaniol, J.Okuda|2003|J.Am.Chem.Soc.|125|4964|doi:10.1021/ja029968g
Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides
2007
The crystal structures of 1,4-bis(3,5-di-tert-butyl-2-hydroxybenzamido)butane (1) and 1,3-bis(3,5-di-tert-butyl-2-hydroxybenzamido)-2,2-dimethylpropane (2) have being characterized by single crystal X-ray diffraction. Their crystal packing is discussed in terms of the different interactions they exhibit. A brief discussion, based on hydrogen bonds, on the structural features of bis-(3,5-di-tert-butyl-2-hydroxybenzamide) compounds is carried out.
Thermal effects during adsorption of n-butane on a slilicalite-1 membrane. A non-equilibrium molecular dynamics study
2007
Abstract Non-equilibrium molecular dynamic (NEMD) simulations have been used to study the kinetics of adsorption of n-butane molecules in a silicalite membrane. We have chosen this simple well-known process to demonstrate that the process is characterized by two stages, both non-isothermal. In the first stage the large chemical driving force leads to a rapid uptake of n-butane in all the membrane and a simultaneous increase in the membrane temperature, explained by the large enthalpy of adsorption, Δ H = − 61.6 kJ / mol butane. A diffusion coefficient for transport across the external surface layer is calculated from the relaxation time; a value of 3.4 × 10 −9 m 2 / s is found. During the a…
Thermal Diffusion and Partial Molar Enthalpy Variations of n-Butane in Silicalite-1
2008
International audience; We report for the first time the heat of transfer and the Soret coefficient for n-butane in silicalite-1. The heat of transfer was typically 10 kJ/mol. The Soret coefficient was typically 0.006 K−1 at 360 K. Both varied with the temperature and the concentration. The thermal conductivity of the crystal with butane adsorbed was 1.46 ±0.07 W/Km. Literature values of the isosteric enthalpy of adsorption, the concentration at saturation, and the diffusion coefficients were reproduced. Non-equilibrium molecular dynamics simulations were used to find these results, and a modified heat exchange algorithm, Soft-HEX, was developed for the purpose. Enthalpies of butane were al…
Cyclocarbonylation reactions of allylphenols and allylnaphthols catalyzed by Pd/C- 1,4-bis(diphenylphosphine)butane
2002
Palladium/activated carbon (Pd/C) in the presence of 1,4-bis(diphenylphosphino)butane is an efficient heterogeneous catalyst for cyclocarbonylation reactions of 2-allyl phenols affording five-, six-, and seven-membered ring lactones. Various examples of cyclocarbonylation are reported and the regioselectivity is compared with the homogeneous system. Both commercial Pd/C and Pd/C prepared from activated carbons obtained from vegetable and polymeric wastes are investigated.
Reactions at Interfaces: Oxygenation of n-Butyl Ligands Anchored on Silica Surfaces with Methyl(trifluoromethyl)dioxirane
2011
The oxygenation of n-butyl and n-butoxy chains bonded to silica with methyl(trifluoromethyl)dioxirane (1) revealed the ability of the silica matrix to release electron density toward the reacting C(2)-H σ-bond through the Si-C(1) and Si-O(1) σ-bonds connecting the alkyl chain to the surface (silicon β-effect). The silica surface impedes neither the alkyl chain adopting the conformation required for the silicon β-effect nor dioxirane 1 approaching the reactive C(2) methylene group. Reaction regioselectivity is insensitive to changes in the solvation of the reacting system, the location of organic ligands on the silica surface, and the H-bonding character of the silica surface. Reaction rates…
Über die Stabilität Von Copolymeren aus 1,3,5-Trioxan mit verschiedenen Lactonen
1976
Der thermische Abbau von Copolymeren aus 1,3,5-Trioxan und den Lactonen β-Propiolacton (3-Propanolid), Pivalolacton (2,2-Dimethyl-3-propanolid) und e-Caprolacton (6-Hexanolid) wurde untersucht. Der langsame und vollstandige Abbau der Copolymeren wird zuruckgefuhrt auf 1 eine statistische acidolytische Kettenspaltung durch Carboxyl-Endgruppen, 2 die Abspaltung von Acrylsaure an den sauren Endgruppen, 3 die statistische Kettenspaltung durch Pyrolyse von Esterbindungen vor allem in Sequenzen aus mehreren β-Propiolactonbausteinen. Die Teilreaktionen (1) und (2) konnen durch Zusatz von Butandiol-Diglycidylather-(1,4-Bis(2,3-epoxypropoxy)butan) oder N-(2-Naphthyl)anilin oder von Epoxiden stark ve…
Counterintuitive Mechanisms of the Addition of Hydrogen and Simple Olefins to Heavy Group 13 Alkene Analogues
2013
The mechanism of the reaction of olefins and hydrogen with dimetallenes ArMMAr (Ar = aromatic group; M = Al or Ga) was studied by density functional theory calculations and experimental methods. The digallenes, for which the most experimental data are available, are extensively dissociated to gallanediyl monomers, :GaAr, in hydrocarbon solution, but the calculations and experimental data showed also that they react with simple olefins, such as ethylene, as intact ArGaGaAr dimers via stepwise [2 + 2 + 2] cycloadditions due to their considerably lower activation barriers vis-à-vis the gallanediyl monomers, :GaAr. This pathway was preferred over the [2 + 2] cycloaddition of olefin to monomeric…