5-Dethia-5-oxacephams: toward correlation of absolute configuration and chiroptical properties

J Org Chem. 2002 Mar 8;67(5):1472-9. doi: 10.1021/jo010657i.

Abstract

The relationship between chiroptical properties of differently substituted 5-dethia-5-oxacephams and their respective molecular structures was investigated. The amide chromophore of the beta-lactam unit in these compounds was found to be nonplanar with a shallow pyramidal configuration at the nitrogen atom. Due to the nonplanarity, the beta-lactam system becomes inherently dissymmetric, which is supported by a high magnitude of the n --> pi* CD band. It was also found that the helicity of the lactam moiety in investigated oxacephams is controlled by the absolute configuration at the C(6) carbon atom. On this basis, a helicity rule correlating a positive (negative) sign of the n right arrow pi Cotton effect with a negative (positive) O [double bond] C [bond] N [bond] C(6) torsional angle for policyclic beta-lactam derivatives possessing a nonplanar amide chromophore was formulated.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anti-Bacterial Agents / chemical synthesis
  • Anti-Bacterial Agents / chemistry*
  • Chemical Phenomena
  • Chemistry, Physical
  • Circular Dichroism
  • Clavulanic Acid / chemistry
  • Crystallography, X-Ray
  • Enzyme Inhibitors / chemistry
  • Molecular Conformation
  • Molecular Structure
  • Spectrophotometry, Ultraviolet
  • Spectroscopy, Fourier Transform Infrared
  • Stereoisomerism
  • Structure-Activity Relationship
  • beta-Lactamase Inhibitors

Substances

  • Anti-Bacterial Agents
  • Enzyme Inhibitors
  • beta-Lactamase Inhibitors
  • Clavulanic Acid