7,17,27,37-Tetratert-butylnonacyclo[31.7.1.13,11.113,21.123,31.04,10.014,20.024,30.034,40]tetratetraconta-1(41),3(44),4,6,8,10,13(43),14,16,18,20,23,25,27,29,31(42),33,35,37,39-icosaene | 1196459-18-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 7,17,27,37-Tetratert-butylnonacyclo[31.7.1.13,11.113,21.123,31.04,10.014,20.024,30.034,40]tetratetraconta-1(41),3(44),4,6,8,10,13(43),14,16,18,20,23,25,27,29,31(42),33,35,37,39-icosaene
• CAS: 1196459-18-3
• 化学式: C₆₀H₆₄
• 分子量: 789.124
• InChiKey: YEMYJYGVWJPQFE-VIFQYIGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.3
• 重原子数：
  60
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  甲醛-13C 、 6-tert-butylazulene 在 florisil 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以40%的产率得到7,17,27,37-Tetratert-butylnonacyclo[31.7.1.13,11.113,21.123,31.04,10.014,20.024,30.034,40]tetratetraconta-1(41),3(44),4,6,8,10,13(43),14,16,18,20,23,25,27,29,31(42),33,35,37,39-icosaene
  参考文献：
  名称：

  Synthesis of a Tetraazulene Porphodimethene Analogue

  摘要：

  Substituted calix[4]azulenes were prepared by reacting 6-alkylazulenes with paraformaldehyde in the presence of florisil. Hydride abstraction of a calix[4]azulene with Ph3CPF6 afforded a tetraazulene analogue of the porphodimethenes.

  DOI：

  10.1021/jo901959k

文献信息

• Synthesis of a Tetraazulene Porphodimethene Analogue
  作者：Timothy D. Lash、Jessica A. El-Beck、Denise A. Colby

  DOI：10.1021/jo901959k

  日期：2009.11.20

  Substituted calix[4]azulenes were prepared by reacting 6-alkylazulenes with paraformaldehyde in the presence of florisil. Hydride abstraction of a calix[4]azulene with Ph3CPF6 afforded a tetraazulene analogue of the porphodimethenes.