Journal ArticleDOI
Chemical consequences of conformation in macrocyclic compounds
W. Clark Still,Igor Galynker +1 more
TLDR
In this paper, the conformational properties of medium and large-ring organic molecules have profound consequences on the stereochemical course of their chemical reactions, and the diastereomeric composition of the products was determined.About:
This article is published in Tetrahedron.The article was published on 1981-01-01. It has received 282 citations till now.read more
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Electrochemical oxidation and structural changes of 5,6-dihydrobenzo[c]cinnolines
TL;DR: Low-mode search (LMOD) as discussed by the authors is based on eigenvector following (or mode following) for the exhaustive exploration of the potential energy hypersurface of molecules, which is particularly efficient at searching the conformational space of both cyclic and acyclic molecules.
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The synthesis of carbocyclic eight-membered rings
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Selective Synthesis by Use of Lewis Acids in the Presence of Organocopper and Related Reagents. New Synthetic Methods (61)
TL;DR: In this paper, it was shown that the two species cannot coexist and undergo transmetalation reactions at low temperature, but they exhibit new and unique reactivities and selectivities: in conjugate additions, e.g., not only activation but also high regio-, stereo-, and chemo-selectivity as well as very high asymmetric induction.
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Construction of Nine-Membered Heterocycles through Palladium-Catalyzed Formal [5+4] Cycloaddition
TL;DR: Under palladium catalysis, the reaction of N-tosyl azadienes and substituted vinylethylene carbonates (VECs) proceeds smoothly to produce benzofuran-fused heterocycles in uniformly high efficiency.
Journal ArticleDOI
The multiple minimum problem in molecular modeling. Tree searching internal coordinate conformational space
Mark Lipton,W. Clark Still +1 more
TL;DR: In this article, a general algorithm is described which exhaustively searches conformational space using an internal coordinate tree search using only geometrical operations and a set of criteria for eliminating chemically unreasonable structures, the algorithm generates starting geometries for optimization by molecular mechanics.
References
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Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
TL;DR: An improved force field for molecular mechanics calculations of the structures and energies of hydrocarbons is presented in this paper, where the problem of simultaneously obtaining a sufficiently large gauche butane interaction energy while keeping the hydrogens small enough for good structural predictions was solved with the aid of onefold and twofold rotational barriers.
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The ester enolate Claisen rearrangement. Stereochemical control through stereoselective enolate formation
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