8-{4-[N-(5-hydroxy-3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-N-t-butyloxycarbonylamino]butyl}-8-azaspiro[4.5]decane-7,9-dione | 269061-55-4

• 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-[N-(5-hydroxy-3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-N-t-butyloxycarbonylamino]butyl}-8-azaspiro[4.5]decane-7,9-dione
• CAS: 269061-55-4
• 化学式: C₂₈H₄₀N₂O₆
• 分子量: 500.635
• InChiKey: SLDCNKFHWCXPEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  96.38
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  8-{4-[N-(5-hydroxy-3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-N-t-butyloxycarbonylamino]butyl}-8-azaspiro[4.5]decane-7,9-dione 在 potassium carbonate 、 三氟乙酸 、 potassium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成
  参考文献：
  名称：

  Substituted 3-amino and/or 3-aminomethyl-3,4-dihydro-2 H -1-benzopyrans: synthesis and biological activity

  摘要：

  A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5-alkoxy-3',4'-dihydrospiro[piperazine-2,3'(2'H)-benzopyran] derivatives was prepared and evaluated for affinity at 5-HT1A, 5-HT2A and D-2 receptors. Two of the compounds (1f and 2b) can be considered as potent and selective 5-HT2A ligands. One compound (1g) demonstrated high affinity for 5-HT1A and D-2 receptor binding sites and one compound (1d) proved to be a mixed 5-HT1A/5-HT2A ligand. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00311-9
• 作为产物：
  描述：

  8-{4-[(5-Methoxy-chroman-3-ylmethyl)-amino]-butyl}-8-aza-spiro[4.5]decane-7,9-dione; compound with oxalic acid 在 三溴化硼-二甲基硫醚 三溴甲基硫化硼 、 三乙胺 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 6.0h， 生成 8-{4-[N-(5-hydroxy-3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-N-t-butyloxycarbonylamino]butyl}-8-azaspiro[4.5]decane-7,9-dione
  参考文献：
  名称：

  Substituted 3-amino and/or 3-aminomethyl-3,4-dihydro-2 H -1-benzopyrans: synthesis and biological activity

  摘要：

  A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5-alkoxy-3',4'-dihydrospiro[piperazine-2,3'(2'H)-benzopyran] derivatives was prepared and evaluated for affinity at 5-HT1A, 5-HT2A and D-2 receptors. Two of the compounds (1f and 2b) can be considered as potent and selective 5-HT2A ligands. One compound (1g) demonstrated high affinity for 5-HT1A and D-2 receptor binding sites and one compound (1d) proved to be a mixed 5-HT1A/5-HT2A ligand. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00311-9