2-Adamantanol, 4,4-ethylenedioxy- | 184972-21-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Adamantanol, 4,4-ethylenedioxy-
• 英文别名: spiro[1,3-dioxolane-2,4'-adamantane]-2'-ol
• CAS: 184972-21-2
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: ZHSICRIJKIPOGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Adamantanol, 4,4-ethylenedioxy- 在 pyridinium chlorochromate 作用下， 生成 (-)-(1S,3S)-4-ethylenedioxyadamantan-2-one
  参考文献：
  名称：

  The octant rule. 18. Mechanism of ketone n .fwdarw. .pi.* optical activity. Experimental and computed chiroptical properties of 4-axial and 4-equatorial alkyladamantan-2-ones

  摘要：

  DOI：

  10.1021/ja00275a039
• 作为产物：
  描述：

  4-Hydroxyadamantan-2-on 、 乙二醇 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以89%的产率得到2-Adamantanol, 4,4-ethylenedioxy-
  参考文献：
  名称：

  Crystal structure of the tritylated product of 3-hydroxymethylbicyclo[3.3.1]nonan-2-on-7-ol ethylene acetal cyclization

  摘要：

  A tritylated product of 3-hydroxymethylbicyclo[3.3.1]nonan-2-on-7-ol ethylene acetal cyclization, 4-hydroxymethyl-3-[2-(trityloxy)-ethoxy]-2-oxatricyclo[4.3.1.0(3,8)]decane, was found to have a crystal structure comprising close packed molecular layers intersected by infinite tubes filled with solvent molecules.

  DOI：

  10.1016/j.mencom.2007.11.011

文献信息

• The octant rule. 18. Mechanism of ketone n .fwdarw. .pi.* optical activity. Experimental and computed chiroptical properties of 4-axial and 4-equatorial alkyladamantan-2-ones
  作者：David A. Lightner、Thomas D. Bouman、W. M. Donald. Wijekoon、Aage E. Hansen

  DOI：10.1021/ja00275a039

  日期：1986.7
• Crystal structure of the tritylated product of 3-hydroxymethylbicyclo[3.3.1]nonan-2-on-7-ol ethylene acetal cyclization
  作者：Olga N. Zefirova、Evgeniya V. Nurieva、Vyacheslav N. Nuriev、Konstantin A. Potekhin、Andrei V. Maleev、Nikolai V. Zyk、Nikolai S. Zefirov

  DOI：10.1016/j.mencom.2007.11.011

  日期：2007.11

  A tritylated product of 3-hydroxymethylbicyclo[3.3.1]nonan-2-on-7-ol ethylene acetal cyclization, 4-hydroxymethyl-3-[2-(trityloxy)-ethoxy]-2-oxatricyclo[4.3.1.0(3,8)]decane, was found to have a crystal structure comprising close packed molecular layers intersected by infinite tubes filled with solvent molecules.