Search results for "Abstract"

Anodic Dehydrogenative Cyanamidation of Thioethers: Simple and Sustainable Synthesis of N‐Cyanosulfilimines

2021

Abstract A novel and very simple to perform electrochemical approach for the synthesis of several N‐cyanosulfilimines in good to excellent yields was established. This method provides access to biologically relevant sulfoximines by consecutive oxidation using electro‐generated periodate. This route can be easily scaled‐up to gram quantities. The S,N coupling is carried out at an inexpensive carbon anode by direct oxidation of sulfide. Therefore, the designed process is atom economic and represents a new “green route” for the synthesis of sulfilimines and sulfoximines.

Simulation of Dense Polymer Systems in Two and Three Dimensions

1991

Dense polymer systems are modeled by self- and mutually avoiding walks on lattices. Both simple models where the step length is one lattice spacing and more complicated models where the step length is distinctly longer and may fluctuate (“bond fluctuation model”) are discussed, and it is shown that the computer simulation of such models gives useful insight to understand the thermodynamic phase behavior and the relaxational dynamics of dense polymer solutions and polymer melts. The huge demands in computing power needed for a successful simulation of such systems can be covered by parallel computers such as the multitransputer facility of the University of Mainz.

Ferrochirality: A simple theoretical model of interacting dynamically invertible helical polymers, 1. The basic effects

1994

The effect of interaction between reversible helical polymers of the poly(hexyl isocyanate) type is investigated by using a molecular field model. It is shown that for interacting helices a critical temperature exists below which they must adopt a common helix-sense spontaneously, even in the absence of any external or intrinsic chiral force

Monte Carlo methods for polymer chains in two - dimensional geometries (polymers at surfaces and interfaces)

1993

Coarse-grained models of polymers at interfaces can be defined such that their treatment by Monte Carlo simulation is most convenient and efficient for the problem at hand. This simulation strategy is briefly illustrated with three examples: (1) The orientational ordering of rigid rod-like polymers grafted to a surface, where “table methods” can be used, applying a fine discretization of the angles describing rod orientation. (2) Surface enrichment of one species in a polymer blend is treated by a semi-grand-canonical technique. (3) The number of configurations and structure of a star polymer attached with its center to a wall is studied by a “growth technique” generalizing simple sampling …

1976

Synthesis and photodimerisation of tetrabenzo[ab,f,jk,o][18]annulenes

1999

Abstract The tetrabenzo[ab,f,jk,o][18]annulenes 7a,b, generated in a 5-step synthesis, show photodimerisation and -oligomerisation reactions in the solid state and in solution. The state of aggregation determines the reaction route. Whereas the cyclodimer 8a has a simple cyclobutane structure, the dimer 8b is a highly symmetrical cyclophane.

Polycondensed nitrogen heterocycles. Part25. Aminopyrrolo[1,2-f]-phenanthridines by decomposition of 2-(3-azidophenyl)-1-arylpyrroles

1994

Acid catalyzed decomposition of the azido derivatives 4a-c gave rise to amino-hydroxy-phenylpyrroles of type 7 and 8 upon hydrolysis of the intermediate aryl nitrenium ions, together with the hydrogen abstraction compounds of type 3. The aminopyrrolo[1,2-f]phenanthridines 10, 11, and 12 were obtained by treatment with TFMSA of the azide 4d in which the ring being attacked was made more nucleophilic by the introduction of the methoxy group.

ChemInform Abstract: Polycondensed Nitrogen Heterocycles. Part 25. Aminopyrrolo(1,2-f) phenanthridines by Decomposition of 2-(3-Azidophenyl)-1-arylpy…

2010

Acid catalyzed decomposition of the azido derivatives 4a-c gave rise to amino-hydroxy-phenylpyrroles of type 7 and 8 upon hydrolysis of the intermediate aryl nitrenium ions, together with the hydrogen abstraction compounds of type 3. The aminopyrrolo[1,2-f]phenanthridines 10, 11, and 12 were obtained by treatment with TFMSA of the azide 4d in which the ring being attacked was made more nucleophilic by the introduction of the methoxy group.

Synthesis and Properties of Some Simple Organotitanium Compounds

1986

Before embarking on a detailed discussion of the titanation of carbanions, synthetic and physical organic aspects of several typical organotitanium (IV) compounds shall be surveyed, including thermal stability, aggregation state, X-ray structural data and bond energies. Some of this information is useful in understanding reactivity and selectivity in reactions with organic substrates. Low valent Ti (II) and Ti (III) shall be mentioned only on passing; the interested reader is referred to reviews [1].

Synthesis and Reactivity of New β-Enamino Acid Derivatives:  A Simple and General Approach to β-Enamino Esters and Thioesters

1998

A new strategy has been developed for the synthesis of several β-enamino acid derivatives. N,N‘-Carbonyldiimidazole has been used as C-acylating agent of methyl ketimines, providing a direct and simple route to new β-enamino carbonyl imidazole derivatives 2. These derivatives 2 were cleanly and efficiently transformed into β-enamino esters 4 (X = O) and thioesters 4 (X = S) by reaction with a great variety of alcohols and thiols, including tertiary ones. Alternative and complementary routes to compounds 4 were also investigated. In addition, β-keto esters 6 have been obtained by mild acid hydrolysis of β-enamino esters 4.