Pentaspiro<3.0.3.0.3.0.3.0.3.1>henicosan-21-ol | 111558-49-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Pentaspiro<3.0.3.0.3.0.3.0.3.1>henicosan-21-ol
• 英文别名: pentaspiro[3.0.3.0.3.0.3.0.3.1]heneicosan-21-ol；Pentaspiro[3.0.35.0.39.0.313.0.317.14]henicosan-21-ol
• CAS: 111558-49-7
• 化学式: C₂₁H₃₂O
• 分子量: 300.484
• InChiKey: GSSFPGZWPIPXDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Pentaspiro<3.0.3.0.3.0.3.0.3.1>henicosan-21-ol 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 0.67h， 以67%的产率得到hexacyclo[10.3.3.3(7,11).0(1,12).0(2,6).0(7,11)]heneicos-2(6)-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
• 作为产物：
  描述：

  pentaspiro[3.0.35.0.39.0.313.0.317.14]henicosane-6,14,21-trione 生成 Pentaspiro<3.0.3.0.3.0.3.0.3.1>henicosan-21-ol
  参考文献：
  名称：

  GIERSIG, MANFRED;WEHLE, DETLEF;FITJER, LUTZ;SCHORMANN, NORBERT;CLEGG, WIL+, CHEM. BER., 121,(1988) N 3, 525-531

  摘要：

  DOI：

文献信息

• GIERSIG, MANFRED;WEHLE, DETLEF;FITJER, LUTZ;SCHORMANN, NORBERT;CLEGG, WIL+, CHEM. BER., 121,(1988) N 3, 525-531
  作者：GIERSIG, MANFRED、WEHLE, DETLEF、FITJER, LUTZ、SCHORMANN, NORBERT、CLEGG, WIL+

  DOI：——

  日期：——
• Giersig, Manfred; Wehle, Detlef; Fitjer, Lutz, Chemische Berichte, 1988, vol. 121, p. 525 - 532
  作者：Giersig, Manfred、Wehle, Detlef、Fitjer, Lutz、Schormann, Norbert、Clegg, William

  DOI：——

  日期：——
• 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.