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Conformational analysis of novel monoaryl substituted protoporphyrins by 1D NOE, 2D NOESY and molecular modeling studies

✍ Scribed by Adriana E. Robinsohn; Graciela Y. Buldain; Marta S. Maier

Publisher: Journal of Heterocyclic Chemistry
Year: 1997
Tongue: English
Weight: 408 KB
Volume: 34
Category: Article
ISSN: 0022-152X
DOI: 10.1002/jhet.5570340441

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Porphyrins 1–4 are monoaryl protoporphyrins substituted on C‐5 or C‐15 by a phenyl group. One‐ and two‐dimensional nOe experiments and molecular modeling studies allowed us to find the most favorable conformations for these compounds. In the four porphyrins, the exocyclic phenyl group adopts a non‐coplanar disposition relative to the plane of the macrocycle and this is reflected in the ID nOe difference and 2D NOESY results. In porphyrins 1 and 3 the macrocycle is nearly planar while nonplanar saddle conformations were obtained for porphyrins 2 and 4.

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