ethyl (3aS,6aR)-6a-benzoyl-2-ethyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-3a-carboxylate | 128164-67-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl (3aS,6aR)-6a-benzoyl-2-ethyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-3a-carboxylate
• CAS: 128164-67-0
• 化学式: C₁₉H₂₅NO₃
• 分子量: 315.412
• InChiKey: HZQHVJAEMATINO-MOPGFXCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  46.61
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  ethyl 5-bromo-3-ethxl-9-oxo-3-azabicyclo<3.3.1>nonanecarboxylate 、 苯基锂 以 四氢呋喃 为溶剂， 以73%的产率得到ethyl (3aS,6aR)-6a-benzoyl-2-ethyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-3a-carboxylate
  参考文献：
  名称：

  Reactions of bridgehead halides. A synthesis of modhephene, isomodhephene, and epi-modhephene

  摘要：

  A synthesis of modhephene has been achieved, the key feature of which is the use of a novel nucleophilic addition/rearrangement reaction to develop the carbon framework. Stereochemical control of the stereogenic center bearing the methyl group was accomplished by variation of the hydrogenation conditions. As a byproduct of this work, we have clarified structural assignments of intermediates from previous syntheses.

  DOI：

  10.1021/jo00013a014

文献信息

• KRAUS, GEORGE A.;SHI, JIANMIN, J. ORG. CHEM., 56,(1991) N3, C. 4147-4151
  作者：KRAUS, GEORGE A.、SHI, JIANMIN

  DOI：——

  日期：——