N-(1,2,3,5,6,7-hexahydro-5-methyl-1,5:3,7-dimethano-4-benzoxonin-3-yl)acetamide | 1207834-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: N-(1,2,3,5,6,7-hexahydro-5-methyl-1,5:3,7-dimethano-4-benzoxonin-3-yl)acetamide
• 英文别名: N-(12-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)acetamide
• CAS: 1207834-34-1
• 化学式: C₁₇H₂₁NO₂
• 分子量: 271.359
• InChiKey: ZQMHOBXDSQFYFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(1,2,3,5,6,7-hexahydro-5-methyl-1,5:3,7-dimethano-4-benzoxonin-3-yl)acetamide 在 盐酸 、 水 作用下， 反应 24.0h， 生成 5-methyl-1,5,6,7-tetrahydro-1,5:3,7-dimethanobenzo[e]oxonin-3(2H)-amine hydrochloride
  参考文献：
  名称：

  New oxapolycyclic cage amines with NMDA receptor antagonist and trypanocidal activities

  摘要：

  The synthesis of several (1,2,3,5,6,7-hexahydro-1,5: 3,7-dimethano-4-benzoxonin-3-yl)amines and related compounds is reported. Several of them display very similar activity to memantine as NMDA receptor antagonists. Several derivatives showed a significant level of trypanocidal activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.017
• 作为产物：
  描述：

  1,2,3,5,6,7-hexahydro-5-methyl-1,5:3,7-dimethano-4-benzoxonin-3-ol 、 乙腈 在 硫酸 作用下， 反应 18.0h， 以81%的产率得到N-(1,2,3,5,6,7-hexahydro-5-methyl-1,5:3,7-dimethano-4-benzoxonin-3-yl)acetamide
  参考文献：
  名称：

  New oxapolycyclic cage amines with NMDA receptor antagonist and trypanocidal activities

  摘要：

  The synthesis of several (1,2,3,5,6,7-hexahydro-1,5: 3,7-dimethano-4-benzoxonin-3-yl)amines and related compounds is reported. Several of them display very similar activity to memantine as NMDA receptor antagonists. Several derivatives showed a significant level of trypanocidal activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.017

文献信息

• New oxapolycyclic cage amines with NMDA receptor antagonist and trypanocidal activities
  作者：María D. Duque、Pelayo Camps、Eva Torres、Elena Valverde、Francesc X. Sureda、Marta López-Querol、Antoni Camins、S. Radhika Prathalingam、John M. Kelly、Santiago Vázquez

  DOI：10.1016/j.bmc.2009.11.017

  日期：2010.1

  The synthesis of several (1,2,3,5,6,7-hexahydro-1,5: 3,7-dimethano-4-benzoxonin-3-yl)amines and related compounds is reported. Several of them display very similar activity to memantine as NMDA receptor antagonists. Several derivatives showed a significant level of trypanocidal activity. (C) 2009 Elsevier Ltd. All rights reserved.