The tautomerism of Omeprazole in solution:: a 1H and 13C NMR study

被引：53

作者：

Claramunt, RM

López, C

Alkorta, I

Elguero, J

Yang, R

Schulman, S

机构：

[1] Univ Nacl Educ Distancia, Fac Ciencias, Dept Quim Organ & Biol, E-28040 Madrid, Spain

[2] CSIC, Ctr Quim Organ Manuel Lora Tamayo, Inst Quim Med, E-28006 Madrid, Spain

[3] Univ Florida, Coll Pharm, Dept Med Chem, Gainesville, FL 32610 USA

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2004年 / 42卷 / 08期

关键词：

NMR; H-1; C-13; tautomerism; omeprazole;

D O I：

10.1002/mrc.1409

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The tautornerism of 5(6)-methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl] sulfinyl}-1H-benzimidazole (omeprazole) was determined in solution, K-T = 0.59 in THF at 195 K, in favor of the 6-methoxy tautomer. The assignment of the signals was made by comparison with its two N-methyl derivatives in acetone-d(6) and through theoretical calculations of the absolute shieldings (GIAO/DFT/6-311++G**). Copyright (C) 2004 John Wiley Sons, Ltd.

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收藏

页码：712 / 714

页数：3

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