8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione | 178875-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
• CAS: 178875-44-0
• 化学式: C₂₄H₃₄N₂O₄
• 分子量: 414.545
• InChiKey: SPJPXOJVCGSOOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-碘代丙烷 、 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以37%的产率得到8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
  参考文献：
  名称：

  Synthesis, biological activity and quantitative structure-activity relationships of N-substituted-3,4-dihydro-2H-1-benzopyran derivatives

  摘要：

  Synthesis of N-substituted-3,4-dihydro-2H-1-benzopyran derivatives which have a potential affinity for the 5-HT1A receptor is reported. The comparison between the experimental values of binding and the prediction of Q.S.A.R. studies is described. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00174-6
• 作为产物：
  描述：

  2-羟基-6-甲氧基苯甲醛 在 三乙烯二胺 、 lithium aluminium tetrahydride 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醚 、 乙腈 为溶剂， 生成 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
  参考文献：
  名称：

  Synthesis, biological activity and quantitative structure-activity relationships of N-substituted-3,4-dihydro-2H-1-benzopyran derivatives

  摘要：

  Synthesis of N-substituted-3,4-dihydro-2H-1-benzopyran derivatives which have a potential affinity for the 5-HT1A receptor is reported. The comparison between the experimental values of binding and the prediction of Q.S.A.R. studies is described. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00174-6

文献信息

• Synthesis, biological activity and quantitative structure-activity relationships of N-substituted-3,4-dihydro-2H-1-benzopyran derivatives
  作者：C. Marot、C. Comoy、M.C. Viaud、M.C. Rettori、B. Pfeiffer、L. Morin-Allory、G. Guillaumet

  DOI：10.1016/0960-894x(96)00174-6

  日期：1996.5

  Synthesis of N-substituted-3,4-dihydro-2H-1-benzopyran derivatives which have a potential affinity for the 5-HT1A receptor is reported. The comparison between the experimental values of binding and the prediction of Q.S.A.R. studies is described. (C) 1996 Elsevier Science Ltd