Spiro[dibenzosuberane-5,3'-pyrrolidine] | 757241-19-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: Spiro[dibenzosuberane-5,3'-pyrrolidine]
• 英文别名: Spiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
• CAS: 757241-19-3
• 化学式: C₁₈H₁₉N
• 分子量: 249.356
• InChiKey: VETLKXRHXYJTGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 Spiro[dibenzosuberane-5,3'-pyrrolidine] 在 甲酸 、 sodium formate 作用下， 生成 Spiro[dibenzosuberane-5,3'-(1-methylpyrrolidine)]
  参考文献：
  名称：

  Spiro dibenzosuberane derivatives

  摘要：

  公开号：

  EP0456183B1
• 作为产物：
  描述：

  10,11-二氢螺[5H-二苯并[a,d]环庚烯-5,3'-吡咯烷]-5'-酮 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 Spiro[dibenzosuberane-5,3'-pyrrolidine]
  参考文献：
  名称：

  Structural determinants for high 5-HT 2A receptor affinity of spiro[9,10-dihydroanthracene]-9,3 ′ -pyrrolidine (SpAMDA)

  摘要：

  The synthesis and 5-HT2A receptor affinities of ring altered derivatives of spiro[9,10-dihydroanthracene]-9,3'-pyrrolidine (4), a structurally unique tetracyclic 5-HT2A receptor antagonist, are described. The characteristics of the parent compound prove to be necessary for optimal 5-HT2A receptor affinity. However, expansion of the size of the pyrrolidine and central rings produce compounds with reasonably high 5-HT2A receptor affinities. In addition, the parent compound is shown to have high 5-HT2 receptor selectivity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.014

文献信息

• Structural determinants for high 5-HT 2A receptor affinity of spiro[9,10-dihydroanthracene]-9,3 ′ -pyrrolidine (SpAMDA)
  作者：Srinivas Peddi、Bryan L Roth、Richard A Glennon、Richard B Westkaemper

  DOI：10.1016/j.bmcl.2004.02.014

  日期：2004.5

  The synthesis and 5-HT2A receptor affinities of ring altered derivatives of spiro[9,10-dihydroanthracene]-9,3'-pyrrolidine (4), a structurally unique tetracyclic 5-HT2A receptor antagonist, are described. The characteristics of the parent compound prove to be necessary for optimal 5-HT2A receptor affinity. However, expansion of the size of the pyrrolidine and central rings produce compounds with reasonably high 5-HT2A receptor affinities. In addition, the parent compound is shown to have high 5-HT2 receptor selectivity. (C) 2004 Elsevier Ltd. All rights reserved.
• Spiro dibenzosuberane derivatives
  申请人：SHIONOGI SEIYAKU KABUSHIKI KAISHA

  公开号：EP0456183B1

  公开（公告）日：1995-10-04