22-oxaheptacyclo[10.3.3.3(7,11).1(2,6).0(1,12).0(2,6).0(7,11)]docosane | 1174572-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: 22-oxaheptacyclo[10.3.3.3(7,11).1(2,6).0(1,12).0(2,6).0(7,11)]docosane
• 英文别名: 19-Oxaheptacyclo[10.3.3.32,6.17,11.01,12.02,6.07,11]docosane；19-oxaheptacyclo[10.3.3.32,6.17,11.01,12.02,6.07,11]docosane
• CAS: 1174572-54-3
• 化学式: C₂₁H₃₀O
• 分子量: 298.469
• InChiKey: RFEJFGWGLUWFEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  22-oxaheptacyclo[10.3.3.3(7,11).1(2,6).0(1,12).0(2,6).0(7,11)]docosane 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 0.25h， 以9%的产率得到pentacyclo[8.3.3.3(2,6).0(1,8).0(2,6)]heptadecane-7-spiro-5'-cyclopentan-1'-one
  参考文献：
  名称：

  Percycloalkylated cyclohexanes: attempted synthesis of a trispropellane

  摘要：

  The acid catalyzed rearrangement of two cyclohexanols of spiroannelated four-membered rings has been studied. In accordance with molecular mechanics calculations, far-reaching reorganizations with formation of unsaturated hexacyclic systems, including a fully cycloalkylated cyclohexene with a bispropellane Partial structure, were observed. Attempts to convert this bispropellane to a trispropellane failed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.005
• 作为产物：
  描述：

  hexacyclo[10.3.3.3(7,11).0(1,12).0(2,6).0(7,11)]heneicos-2(6)-ene 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以96%的产率得到22-oxaheptacyclo[10.3.3.3(7,11).1(2,6).0(1,12).0(2,6).0(7,11)]docosane
  参考文献：
  名称：

  Percycloalkylated cyclohexanes: attempted synthesis of a trispropellane

  摘要：

  The acid catalyzed rearrangement of two cyclohexanols of spiroannelated four-membered rings has been studied. In accordance with molecular mechanics calculations, far-reaching reorganizations with formation of unsaturated hexacyclic systems, including a fully cycloalkylated cyclohexene with a bispropellane Partial structure, were observed. Attempts to convert this bispropellane to a trispropellane failed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.005

文献信息

• Percycloalkylated cyclohexanes: attempted synthesis of a trispropellane
  作者：Karl Justus、Tobias Beck、Mathias Noltemeyer、Lutz Fitjer

  DOI：10.1016/j.tet.2009.05.005

  日期：2009.7

  The acid catalyzed rearrangement of two cyclohexanols of spiroannelated four-membered rings has been studied. In accordance with molecular mechanics calculations, far-reaching reorganizations with formation of unsaturated hexacyclic systems, including a fully cycloalkylated cyclohexene with a bispropellane Partial structure, were observed. Attempts to convert this bispropellane to a trispropellane failed. (C) 2009 Elsevier Ltd. All rights reserved.