adamantane-2-spiro-3'-9'-[4'-(methoxycarbonyl)phenyl]-1',2',4',5'-tetraoxaspiro[5.5]undecane | 1335151-14-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: adamantane-2-spiro-3'-9'-[4'-(methoxycarbonyl)phenyl]-1',2',4',5'-tetraoxaspiro[5.5]undecane
• CAS: 1335151-14-8
• 化学式: C₂₄H₃₀O₆
• 分子量: 414.499
• InChiKey: CRKSMEXONVFJAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.89
• 重原子数：
  30.0
• 可旋转键数：
  2.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  63.22
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  adamantane-2-spiro-3'-9'-[4'-(methoxycarbonyl)phenyl]-1',2',4',5'-tetraoxaspiro[5.5]undecane 在 水 、 potassium hydroxide 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 20.0h， 以99%的产率得到adamantane-2-spiro-3'-9'-(4'-carboxyphenyl)-1',2',4',5'-tetraoxaspiro[5.5]undecane
  参考文献：
  名称：

  The activity of dispiro peroxides against Fasciola hepatica

  摘要：

  Dispiro 1,2,4-trioxanes and 1,2,4,5-tetraoxanes had superior efficacy against Fasciola hepatica than the corresponding ozonides (1,2,4-trioxolanes). For highest efficacy, spiroadamantane and carboxymethyl substructures were required. Three compounds completely cured F. hepatica-infected mice at single oral doses of 50 mg/kg and two were partially curative at single doses of 25 mg/kg. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.024
• 作为产物：
  描述：

  4-(4'-carbomethoxyphenyl)cyclohexanone 在 双氧水 、 碘 、 rhenium(VII) oxide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 36.0h， 生成 adamantane-2-spiro-3'-9'-[4'-(methoxycarbonyl)phenyl]-1',2',4',5'-tetraoxaspiro[5.5]undecane
  参考文献：
  名称：

  The activity of dispiro peroxides against Fasciola hepatica

  摘要：

  Dispiro 1,2,4-trioxanes and 1,2,4,5-tetraoxanes had superior efficacy against Fasciola hepatica than the corresponding ozonides (1,2,4-trioxolanes). For highest efficacy, spiroadamantane and carboxymethyl substructures were required. Three compounds completely cured F. hepatica-infected mice at single oral doses of 50 mg/kg and two were partially curative at single doses of 25 mg/kg. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.024