2-chloro-N-(9-methoxy-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)acetamide | 1616516-28-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-chloro-N-(9-methoxy-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)acetamide
• CAS: 1616516-28-9
• 化学式: C₁₈H₂₂ClNO₂
• 分子量: 319.831
• InChiKey: KUOXFBYTNGOPRD-UHFFFAOYSA-N

物化性质

• 沸点：
  493.5±45.0 °C(predicted)
• 密度：
  1.25±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(9-methoxy-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)acetamide 在 溶剂黄146 、 硫脲 作用下， 以 乙醇 为溶剂， 以59%的产率得到9-methoxy-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethano-benzo[9]annulen-7-amine
  参考文献：
  名称：

  Novel benzopolycyclic amines with NMDA receptor antagonist activity

  摘要：

  A new series of benzopolycyclic amines active as NMDA receptor antagonists were synthesized. Most of them exhibited increased activity compared with related analogues previously published. All the tested compounds were more potent than clinically approved amantadine and one of them displayed a lower IC50 value than memantine, an anti-Alzheimer's approved drug. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.03.025
• 作为产物：
  描述：

  氯乙腈 、 9-methoxy-6,7,8,9,10,11-hexahydro-5,9:7,11-dimethano-5H-benzocyclononen-7-ol 在 硫酸 作用下， 以 二氯甲烷 为溶剂， 以31%的产率得到2-chloro-N-(9-methoxy-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)acetamide
  参考文献：
  名称：

  Novel benzopolycyclic amines with NMDA receptor antagonist activity

  摘要：

  A new series of benzopolycyclic amines active as NMDA receptor antagonists were synthesized. Most of them exhibited increased activity compared with related analogues previously published. All the tested compounds were more potent than clinically approved amantadine and one of them displayed a lower IC50 value than memantine, an anti-Alzheimer's approved drug. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.03.025