di(tert-butyl)methyl (3R,8aR)-octahydroindolizine-3-carboxylate | 1147129-46-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: di(tert-butyl)methyl (3R,8aR)-octahydroindolizine-3-carboxylate
• 英文别名: 2,2,4,4-tetramethylpentan-3-yl (3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylate
• CAS: 1147129-46-1
• 化学式: C₁₈H₃₃NO₂
• 分子量: 295.466
• InChiKey: JFCYZUWCWLGAGQ-ZIAGYGMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  di(tert-butyl)methyl (3R,8aR)-octahydroindolizine-3-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 [(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methanol
  参考文献：
  名称：

  Organocatalytic Approach to Enantioselective One-Pot Synthesis of Pyrrolidine, Hexahydropyrrolizine, and Octahydroindolizine Core Structures

  摘要：

  An enantioselective organocatalytic, one-pot synthesis of pyrrolidine, hexahydropyrrolizine, and octahydroindolizine core structures was realized starting from readily available glycine esters by combination with several different organocatalytic reactions.

  DOI：

  10.1021/ol900477x
• 作为产物：
  描述：

  C₃₄H₄₇NO₅ 在 水 、 三氟乙酸 、 二氢吡啶 作用下， 以 乙醇 为溶剂， 反应 49.0h， 以70%的产率得到di(tert-butyl)methyl (3R,8aR)-octahydroindolizine-3-carboxylate
  参考文献：
  名称：

  Organocatalytic Approach to Enantioselective One-Pot Synthesis of Pyrrolidine, Hexahydropyrrolizine, and Octahydroindolizine Core Structures

  摘要：

  An enantioselective organocatalytic, one-pot synthesis of pyrrolidine, hexahydropyrrolizine, and octahydroindolizine core structures was realized starting from readily available glycine esters by combination with several different organocatalytic reactions.

  DOI：

  10.1021/ol900477x

文献信息

• Organocatalytic Approach to Enantioselective One-Pot Synthesis of Pyrrolidine, Hexahydropyrrolizine, and Octahydroindolizine Core Structures
  作者：Yong-Gang Wang、Takeshi Kumano、Taichi Kano、Keiji Maruoka

  DOI：10.1021/ol900477x

  日期：2009.5.7

  An enantioselective organocatalytic, one-pot synthesis of pyrrolidine, hexahydropyrrolizine, and octahydroindolizine core structures was realized starting from readily available glycine esters by combination with several different organocatalytic reactions.