N-[6-[2-[2-[[6-(2,2-dimethylpropanoylamino)pyridin-2-yl]methoxy]ethoxy]ethoxymethyl]pyridin-2-yl]-2,2-dimethylpropanamide | 1046139-17-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[6-[2-[2-[[6-(2,2-dimethylpropanoylamino)pyridin-2-yl]methoxy]ethoxy]ethoxymethyl]pyridin-2-yl]-2,2-dimethylpropanamide
• CAS: 1046139-17-6
• 化学式: C₂₆H₃₈N₄O₅
• 分子量: 486.612
• InChiKey: VQXRXWPFERKNPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  35
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-[6-[2-[2-[[6-(2,2-dimethylpropanoylamino)pyridin-2-yl]methoxy]ethoxy]ethoxymethyl]pyridin-2-yl]-2,2-dimethylpropanamide 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以80%的产率得到C₁₆H₂₂N₄O₃
  参考文献：
  名称：

  A pyridine-based macrocyclic host for urea and acetone

  摘要：

  A pyridine-based macrocycle with a polyether chain has been designed and synthesized. The macrocycle shows strong binding for acetone involving both conventional and unconventional hydrogen bonds. The acetone in the cavity is exchangeable in CHCl(3) by urea. This has been studied thoroughly by (1)H NMR, (13)C NMR, mass and X-ray analyses. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.030
• 作为产物：
  描述：

  N-(6-(bromomethyl)-2-pyridyl)pivalamide 、 二乙二醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到N-[6-[2-[2-[[6-(2,2-dimethylpropanoylamino)pyridin-2-yl]methoxy]ethoxy]ethoxymethyl]pyridin-2-yl]-2,2-dimethylpropanamide
  参考文献：
  名称：

  A pyridine-based macrocyclic host for urea and acetone

  摘要：

  A pyridine-based macrocycle with a polyether chain has been designed and synthesized. The macrocycle shows strong binding for acetone involving both conventional and unconventional hydrogen bonds. The acetone in the cavity is exchangeable in CHCl(3) by urea. This has been studied thoroughly by (1)H NMR, (13)C NMR, mass and X-ray analyses. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.030