2-(4-sulfobutyl)isoquinolin-2-ium hydrogen sulfate | 1298062-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-(4-sulfobutyl)isoquinolin-2-ium hydrogen sulfate
• CAS: 1298062-15-3
• 化学式: C₁₃H₁₆NO₃S*HO₄S
• 分子量: 363.412
• InChiKey: WEEVVSSUXLBJFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  135.68
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4-isoquinolin-2-ium-2-ylbutane-1-sulfonate 在 硫酸 作用下， 反应 4.0h， 生成 2-(4-sulfobutyl)isoquinolin-2-ium hydrogen sulfate
  参考文献：
  名称：

  Synthesis of a novel ionic liquid with both Lewis and Brønsted acid sites and its catalytic activities

  摘要：

  The novel ionic liquid with both Lewis and Bronsted acid sites has been synthesized and its catalytic activities for acetalization and Michael addition were investigated carefully. The novel ionic liquid was stable to water and could be used in aqueous solution. Furthermore, the molar ratio of the Lewis and Bronsted acid sites could be adjusted according to different reactions. The results showed that the novel ionic liquid was very efficient for the traditional acid-catalyzed reactions with good to excellent yields in short time. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2011.01.018