| 1056885-14-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1056885-14-3
• 化学式: C₃₄H₄₄N₂O₈
• 分子量: 608.732
• InChiKey: ALKKNXQAKINHQF-XGSKWWATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  44.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  112.63
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 dichloro(o-isporopoxyphenylmethylene)(triphenylphosphine)ruthenium(II) 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以96%的产率得到[(5R,11R,11aS)-2,3-dimethoxy-8-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-5-(phenylmethoxymethyl)-10,11,11a,12-tetrahydro-5H-azepino[1,2-b]isoquinolin-11-yl] acetate
  参考文献：
  名称：

  RCM-mediated stereoselective synthesis of three novel tetrahydroisoquinoline tetracyclic core frameworks

  摘要：

  Three novel tetrahydroisoquinoline tetracyclic core frameworks were sterectselectively synthesized. The key steps included a ring-closing metathesis (RCM)-mediated cyclization and a subsequent intramolecular S(N)2 N(O)-substituted reaction. This simple method for tetracyclic core synthesis facilitates the further exploration of the chemical space of tetrahydroisoquinoline alkaloids. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.094
• 作为产物：
  描述：

  、 乙酸酐 在 吡啶 作用下， 反应 16.0h， 以91%的产率得到
  参考文献：
  名称：

  RCM-mediated stereoselective synthesis of three novel tetrahydroisoquinoline tetracyclic core frameworks

  摘要：

  Three novel tetrahydroisoquinoline tetracyclic core frameworks were sterectselectively synthesized. The key steps included a ring-closing metathesis (RCM)-mediated cyclization and a subsequent intramolecular S(N)2 N(O)-substituted reaction. This simple method for tetracyclic core synthesis facilitates the further exploration of the chemical space of tetrahydroisoquinoline alkaloids. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.094