NMR investigation of methyl-2,4-dimethoxysalicylate: Effect of solvent and temperature

Dabbagh HA; Najafi AC; Noroozi-Pesyan N

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NMR investigation of methyl-2,4-dimethoxysalicylate: Effect of solvent and temperature

机译：2,4-二甲氧基水杨酸甲酯的NMR研究：溶剂和温度的影响

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H-1 NMR and C-13 NMR of methyl-2,4-dimethoxysalicylate 2 was measured in chloroform-d at the temperature range of 220-330 K, in dimethyl sulfoxide-d(6) at the temperature range of 300-400 K and in a polar protic solvent (CD3OD) at 300 K. The structure of 2 in liquid phase (solvent) is compared with those in solid phase (X-ray) and in the gas phase (quantum mechanical calculations). The relationship between molecular geometry, H-1 NMR chemical shift and W coupling of involved protons has a complex nature, but hydrogen bonds [C=(OH)-H-...-O and C=(OH)-H-...-CH2O] strength is the principle factor. (c) 2005 Elsevier B.V. All rights reserved.

机译：在氯仿-d中于220-330 K的温度范围内，在二甲基亚砜-d（6）在300-400的温度范围内测量了2,4-二甲氧基水杨酸甲酯2的H-1 NMR和C-13 NMR K和在300 K的极性质子溶剂（CD3OD）中的比较。液相（溶剂）中2的结构与固相（X射线）和气相中的2的结构进行比较（量子力学计算）。分子几何结构，所涉及的质子的H-1 NMR化学位移和W偶合之间的关系具有复杂的性质，但是氢键[C =（OH）-H -...- O和C =（OH）-H-。 ..- CH2O]强度是主要因素。（c）2005 Elsevier B.V.保留所有权利。

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《Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy》 |2006年第4期|共6页
作者
Dabbagh HA; Najafi AC; Noroozi-Pesyan N;
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正文语种 eng
中图分类分析化学;
关键词
methyl-2; 4-dimethoxysalicylate; anti-tumour; H-1 NMR; C-13 NMR; BENZOIC-ACID DERIVATIVES;

机译：甲基-2;4-二甲氧基水杨酸酯;抗肿瘤;H-1 NMR;C-13 NMR;苯甲酸衍生物;

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1. NMR investigation of methyl-2,4-dimethoxysalicylate: Effect of solvent and temperature [J] . Dabbagh HA, Najafi AC, Noroozi-Pesyan N Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy . 2006,第4期

机译：2,4-二甲氧基水杨酸甲酯的NMR研究：溶剂和温度的影响
2. Mobility and solvent exposure of aromatic residues in bacteriorhodopsin investigated by 1H‐NMR and photo‐CIDNP‐NMR spectroscopy [J] . Boelens R., Engelhard M., Hess B., FEBS Letters . 1988,第1a2期

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3. Investigation of solute-solvent interactions in phenol compounds: accurate ab initio calculations of solvent effects on ~1H NMR chemical shifts [J] . Michael G. Siskos, Vassiliki G. Kontogianni, Constantinos G. Tsiafoulis, Organic & biomolecular chemistry . 2013,第42期

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7. Mobility and solvent exposure of aromatic residues in bacteriorhodopsin investigated by 1H-NMR and photo-CIDNP-NMR spectroscopy [O] . Mayo K.H., Schussheim A., Vuister G.W., 1988

机译：1H-NMR和光-CIDNP-NMR光谱研究细菌视紫红质中芳香族残基的移动性和溶剂暴露

NMR investigation of methyl-2,4-dimethoxysalicylate: Effect of solvent and temperature

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