hexacyclo[9.3.3.3(2,6).1(2,6).0(1,11).0(10,21)]heneicos-10(21)-ene | 1174572-56-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: hexacyclo[9.3.3.3(2,6).1(2,6).0(1,11).0(10,21)]heneicos-10(21)-ene
• 英文别名: Hexacyclo[9.3.3.32,6.11,7.02,6.011,18]henicos-7(18)-ene；hexacyclo[9.3.3.32,6.11,7.02,6.011,18]henicos-7(18)-ene
• CAS: 1174572-56-5
• 化学式: C₂₁H₃₀
• 分子量: 282.469
• InChiKey: IYFYORDKZIZKOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  hexacyclo[9.3.3.3(2,6).1(2,6).0(1,11).0(10,21)]heneicos-10(21)-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 3.0h， 以88%的产率得到rac-(10R,22S)-21-oxaheptacyclo[9.3.3.3(2,6).2(2,10).0(1,11).0(6,22).0(10,22)]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
• 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 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 0.25h， 以68%的产率得到hexacyclo[9.3.3.3(2,6).1(2,6).0(1,11).0(10,21)]heneicos-10(21)-ene
  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.