N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]quinoline-8-carboxamide | 1443118-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]quinoline-8-carboxamide
• CAS: 1443118-88-4
• 化学式: C₁₅H₁₈N₂O₃
• 分子量: 274.32
• InChiKey: LDDDQHLILGQVHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-喹啉甲酸乙酯 、 2-氨基-2-乙基-1,3-丙二醇 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.75h， 以73%的产率得到N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]quinoline-8-carboxamide
  参考文献：
  名称：

  Hybrid polyoxometalate palladacycles: DFT study and application to the Heck reaction

  摘要：

  The phosphovanadotungstate polyanion [P2W15V3O62](9-) is a powerful support to stabilize palladacycles conjugated to the inorganic framework via an organic ligand. The insertion can be directed toward sp(2) or sp(3) C-H insertion upon appropriate choice of the substitution pattern on the organic ligand. OFT modeling indicates that the strong withdrawing effect of the POM transmitted through the conjugated carbonyl was responsible for this easy insertion. The palladacycles led to the formation of stilbene via a Mizoroki-Heck reaction. However it is likely that the POMs act as Pd-reservoirs for the formation of nanoparticles. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.03.045