cis,syn,cis-tricyclo<8.4.0.0^2,7>tetradeca-3,5,8,11,13-pentaene | 143602-67-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: cis,syn,cis-tricyclo<8.4.0.0^2,7>tetradeca-3,5,8,11,13-pentaene
• 英文别名: cis,syn,cis-tricyclo[8.4.0.0^2,7]tetradeca-3,5,8,11,13-pentaene；(4aR,4bS,8aS,10aR)-4a,4b,8a,10a-tetrahydrophenanthrene
• CAS: 143602-67-9
• 化学式: C₁₄H₁₄
• 分子量: 182.265
• InChiKey: YZEOILGFLMUVHR-KPWCQOOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  cis,syn,cis-tricyclo<8.4.0.0^2,7>tetradeca-3,5,8,11,13-pentaene 、 4-甲基-1,2,4-三吖啉-3,5-二酮 生成 rac-(5aR,7aS,14S,14aS,14bR)-2,11-dimethyl-5,5a,7a,8,14,14a,14b,15-octahydro-1H,10H-5,15:8,14-dietheno[1,2,4]triazolo[1',2':1,2]pyridazino[4,5-f][1,2,4]triazolo[1,2-b]phthalazine-1,3,10,12(2H,11H)-tetraone
  参考文献：
  名称：

  Exploration into the (CH)4 hydrocarbon manifold - thermal stabilization pathway of rac-tritwistatriene

  摘要：

  The preparative potential of rac-tritwistatriene (2) as precursor for other novel (CH)14 hydrocarbons is explored. Solution thermolysis generates the primarily desired pentaene 1 together with trienes 7 and 9. From FVP experiments, 1 is obtained together with triene 9 and pentaene 11 as thermodynamically more stable (CH)14 isomers. The behavior of 1 in cycloaddition reactions is provisionally explored.

  DOI：

  10.1016/s0040-4039(00)74676-4
• 作为产物：
  描述：

  Tritwistatrien 以35%的产率得到cis,syn,cis-tricyclo<8.4.0.0^2,7>tetradeca-3,5,8,11,13-pentaene
  参考文献：
  名称：

  Exploration into the (CH)4 hydrocarbon manifold - thermal stabilization pathway of rac-tritwistatriene

  摘要：

  The preparative potential of rac-tritwistatriene (2) as precursor for other novel (CH)14 hydrocarbons is explored. Solution thermolysis generates the primarily desired pentaene 1 together with trienes 7 and 9. From FVP experiments, 1 is obtained together with triene 9 and pentaene 11 as thermodynamically more stable (CH)14 isomers. The behavior of 1 in cycloaddition reactions is provisionally explored.

  DOI：

  10.1016/s0040-4039(00)74676-4

文献信息

• Exploration into the (CH)4 hydrocarbon manifold - thermal stabilization pathway of rac-tritwistatriene
  作者：Thomas Otten、Hermann Müller-Bötticher、Dieter Hunkler、Hans Fritz、Horst Prinzbach

  DOI：10.1016/s0040-4039(00)74676-4

  日期：1992.7

  The preparative potential of rac-tritwistatriene (2) as precursor for other novel (CH)14 hydrocarbons is explored. Solution thermolysis generates the primarily desired pentaene 1 together with trienes 7 and 9. From FVP experiments, 1 is obtained together with triene 9 and pentaene 11 as thermodynamically more stable (CH)14 isomers. The behavior of 1 in cycloaddition reactions is provisionally explored.