33-Oxadecacyclo[23.5.2.13,14.02,15.04,13.06,11.016,29.019,28.022,27.026,30]tritriaconta-1(30),2(15),4,6,8,10,12,16(29),17,19(28),20,22(27),23,25,31-pentadecaene | 918968-94-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 33-Oxadecacyclo[23.5.2.13,14.02,15.04,13.06,11.016,29.019,28.022,27.026,30]tritriaconta-1(30),2(15),4,6,8,10,12,16(29),17,19(28),20,22(27),23,25,31-pentadecaene
• 英文别名: 33-oxadecacyclo[23.5.2.13,14.02,15.04,13.06,11.016,29.019,28.022,27.026,30]tritriaconta-1(30),2(15),4,6,8,10,12,16(29),17,19(28),20,22(27),23,25,31-pentadecaene
• CAS: 918968-94-2
• 化学式: C₃₂H₁₆O
• 分子量: 416.478
• InChiKey: FQLMKKUYKNWENW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  33-Oxadecacyclo[23.5.2.13,14.02,15.04,13.06,11.016,29.019,28.022,27.026,30]tritriaconta-1(30),2(15),4,6,8,10,12,16(29),17,19(28),20,22(27),23,25,31-pentadecaene 在 lithium aluminium tetrahydride 、 四氯化钛 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以55%的产率得到Nonacyclo[23.5.2.02,15.04,13.06,11.016,29.019,28.022,27.026,30]dotriaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25,31-hexadecaene
  参考文献：
  名称：

  Isocorannulenofuran:  A Versatile Building Block for the Synthesis of Large Buckybowls

  摘要：

  Isocorannulenofuran, synthesized in two steps from accessible bromocorannulene, gives Diels-Alder adducts with benzynes which can be deoxygenated to produce large polycyclic aromatic hydrocarbons (PAHs) combining the bowl-shaped corannulene subunit with planar fragments.

  DOI：

  10.1021/ol0625839
• 作为产物：
  描述：

  25-Oxaoctacyclo[15.5.2.13,6.02,7.08,21.011,20.014,19.018,22]pentacosa-1(22),2(7),4,8(21),9,11(20),12,14(19),15,17,23-undecaene 在 2,6-bis-2-pyridyl-1,2,4,5-tetrazine 作用下， 以 氯仿 、 1,2-二氯乙烷 为溶剂， 反应 0.25h， 生成 33-Oxadecacyclo[23.5.2.13,14.02,15.04,13.06,11.016,29.019,28.022,27.026,30]tritriaconta-1(30),2(15),4,6,8,10,12,16(29),17,19(28),20,22(27),23,25,31-pentadecaene
  参考文献：
  名称：

  Isocorannulenofuran:  A Versatile Building Block for the Synthesis of Large Buckybowls

  摘要：

  Isocorannulenofuran, synthesized in two steps from accessible bromocorannulene, gives Diels-Alder adducts with benzynes which can be deoxygenated to produce large polycyclic aromatic hydrocarbons (PAHs) combining the bowl-shaped corannulene subunit with planar fragments.

  DOI：

  10.1021/ol0625839

文献信息

• Isocorannulenofuran:  A Versatile Building Block for the Synthesis of Large Buckybowls
  作者：Andrzej Sygula、Renata Sygula、Peter W. Rabideau

  DOI：10.1021/ol0625839

  日期：2006.12.1

  Isocorannulenofuran, synthesized in two steps from accessible bromocorannulene, gives Diels-Alder adducts with benzynes which can be deoxygenated to produce large polycyclic aromatic hydrocarbons (PAHs) combining the bowl-shaped corannulene subunit with planar fragments.