Real-time mechanistic monitoring of an acetal hydrolysis using ultrafast 2D NMR

被引：29
|
作者：
Queiroz, Luiz H. K., Jr. [1 ,2 ]
Giraudeau, Patrick [3 ]
dos Santos, Fabiane A. B. [1 ]
de Oliveira, Kleber T. [1 ]
Ferreira, Antonio G. [1 ]
机构：
[1] Univ Fed Sao Carlos UFSCar, Dept Quim, Lab Ressonancia Magnet Nucl, BR-13565905 Sao Carlos, SP, Brazil
[2] Univ Fed Goias, Inst Quim, Lab Ressonancia Magnet Nucl, Goiania, Go, Brazil
[3] Univ Nantes, CNRS, UMR 6230, Nantes, France
来源：
MAGNETIC RESONANCE IN CHEMISTRY | 2012年 / 50卷 / 07期
基金：
巴西圣保罗研究基金会;
关键词：
NMR; 1H; 13C; ultrafast NMR; NMR theoretical calculations; acetal hydrolysis; hemiacetal intermediate; SPECTROSCOPY; SENSITIVITY;
D O I：
10.1002/mrc.3827
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Ultrafast (UF) 2D NMR makes it possible to obtain a 2D NMR spectrum in less than a second. Here, UF-HSQC experiments are used for the real-time mechanistic study of an acetal hydrolysis at C-13 natural abundance, and it is possible to characterize the presence of the hemiacetal, an intermediate with a well-known short lifetime. The assignments are confirmed and rationalized by quantum calculations of H-1 and C-13 NMR chemical shifts and natural bonding orbital analysis. Copyright (c) 2012 John Wiley & Sons, Ltd.
引用
收藏
页码：496 / 501
页数：6
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