ethyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine-1-carboxylate | 1218788-92-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: ethyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine-1-carboxylate
• CAS: 1218788-92-1
• 化学式: C₁₃H₂₄N₂O₄
• 分子量: 272.345
• InChiKey: ZPHBSRDGYHLDMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine-1-carboxylate 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以73.8%的产率得到1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperazine
  参考文献：
  名称：

  Synthesis and structure of novel closo-dodecaborate-based glycerols

  摘要：

  The reactions of oxonium derivatives of [B(12)H(12)](2) with different glycerol-based nucleophiles were studied. A series of novel closo-dodecaborate- based glycerols with different net charges on the molecules were prepared. A structure of {2-[2-(4-(2, 3-dihydroxypropyl)-dipiperazinium-1-yl)-ethoxy]-ethoxy}-undecahydro-closo-dodecaborate was determined and the existence of different intermolecular H-bonds was shown. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.038