학술논문

Structural investigation of 5-hydrazano-5,6,7,8-tetrahydro-2H-1-benzopyran-2-ones and 5,6,7,8-tetrahydroquinoline-2,5(1H)-diones.
Document Type
Article
Source
Journal of Chemical Information & Computer Sciences. May-Jun1997, Vol. 37 Issue 3, p489-494. 6p.
Subject
Chemistry
Simulation methods & models
Language
ISSN
0095-2338
Abstract
Substituted 2H-1-benzopyran-2-ones are useful synthons and have potential as biologically active compounds. In order to characterize the transformation of benzopyran-2,5 diones with a heterocyclic hydrazine to 2H-1-quinoline-2,5-diones and 5-hydrazano-2H-1-benzopyran-2-ones, the authors have studied structural parameters of the products using 2D NMR techniques in solution combined with computational tools. Molecular modeling based on experimentally determined NOE distance restraints enabled determination of solution structures of two compounds. [ABSTRACT FROM AUTHOR]