(1R,2S,3R,3aS,5S,9aR)-2,3-isopropylidenedioxy-1-benzyloxy-5-phenyl-octahydrocyclopenta[c]pyrazol[1,2-a]pyrazolidin-7-one | 1312197-98-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1R,2S,3R,3aS,5S,9aR)-2,3-isopropylidenedioxy-1-benzyloxy-5-phenyl-octahydrocyclopenta[c]pyrazol[1,2-a]pyrazolidin-7-one
• 英文别名: (1S,3S,8R,9R,10S,14R)-12,12-dimethyl-3-phenyl-9-phenylmethoxy-11,13-dioxa-2,6-diazatetracyclo[6.6.0.02,6.010,14]tetradecan-5-one
• CAS: 1312197-98-0
• 化学式: C₂₅H₂₈N₂O₄
• 分子量: 420.508
• InChiKey: HYBROTPORUXQCH-MGRWZAPSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (3aS,4S,6S,7S,7aS)-6-(iodomethyl)-4-methoxy-2,2-dimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran 在 三乙胺 、 锌 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 (1R,2S,3R,3aS,5R,9aR)-2,3-isopropylidenedioxy-1-benzyloxy-5-phenyl-octahydrocyclopenta[c]pyrazol[1,2-a]pyrazolidin-7-one 、 (1R,2S,3R,3aS,5S,9aR)-2,3-isopropylidenedioxy-1-benzyloxy-5-phenyl-octahydrocyclopenta[c]pyrazol[1,2-a]pyrazolidin-7-one
  参考文献：
  名称：

  Stereoselective synthesis of polyoxygenated linear diaza-triquinanes via intramolecular 1,3-dipolar cycloaddition of sugar-derived hex-5-enals

  摘要：

  An efficient and stereoselective synthesis of diaza-triquinanes, the skeleton structures of many natural products, has been accomplished by intramolecular 1,3-dipolar cycloaddition of azomethine imine generated from sugar-derived hex-5-enal and pyrazolidin-3-one. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.031

文献信息

• Stereoselective synthesis of polyoxygenated linear diaza-triquinanes via intramolecular 1,3-dipolar cycloaddition of sugar-derived hex-5-enals
  作者：Yunfeng Li、Yao Meng、Xiangbao Meng、Zhongjun Li

  DOI：10.1016/j.tet.2011.04.031

  日期：2011.6

  An efficient and stereoselective synthesis of diaza-triquinanes, the skeleton structures of many natural products, has been accomplished by intramolecular 1,3-dipolar cycloaddition of azomethine imine generated from sugar-derived hex-5-enal and pyrazolidin-3-one. (C) 2011 Elsevier Ltd. All rights reserved.