Discovery of a Long-Range Perlin Effect in a Conformationally Constrained Oxocane

J Org Chem. 2016 Jul 1;81(13):5740-4. doi: 10.1021/acs.joc.6b00819. Epub 2016 Jun 22.

Abstract

Herein, we present the crystal structure, NMR J analysis, and conformational and natural bond order analyses of tricyclic oxocane (1), resulting in the discovery of a long-range Perlin effect at C4 and C5. The normal Perlin effect (NPE) of Δ(1)JC-H = 18.38 Hz at C5 is the largest to date for a nonanomeric methylene due to an unprecedented through-space n → σ* stabilizing interaction. The NPE at C4 where Δ(1)JC-H = 6.91 Hz is nearly double those found in cyclohexanone.

Publication types

  • Research Support, Non-U.S. Gov't