Probing heterocycle conformation with residual dipolar couplings

被引：28

作者：

Gayathri, Chakicherla ^{[1
]}

de la Fuente, M. Carmen ^{[2
]}

Luy, Burkhard ^{[3
]}

Gil, Roberto R. ^{[1
]}

Navarro-Vazquez, Armando ^{[4
]}

机构：

[1] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA

[2] Univ Santiago Compostela, Fac Quim, Dept Quim Organ, Compostela 15782, Spain

[3] Tech Univ Munich, Dept Chem, Lehrstuhl Organ Chem 2, D-85747 Garching, Germany

[4] Univ Vigo, Dept Quim Organ, Vigo 36310, Spain

来源：

CHEMICAL COMMUNICATIONS | 2010年 / 46卷 / 32期

关键词：

ALIGNMENT MEDIA; RDCS; GELS; NMR; STEREOCHEMISTRY; CYCLIZATION; TOOL;

D O I：

10.1039/c0cc01271h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Residual dipolar couplings (RDCs) obtained in a stretched polydimethylsiloxane gel are applied to determine the 7-membered ring conformation in a 2-phenyl-3-benzazepine derivative, and to simultaneously assign all methylene proton pairs using only (1)D(CH) RDCs and DFT molecular modelling data.

引用

页码：5879 / 5881

页数：3

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