37-Oxaundecacyclo[27.5.2.13,18.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]heptatriaconta-1(34),2(19),4(17),5,7,9,11,13,15,20(33),21,23(32),24,26(31),27,29,35-heptadecaene | 918968-95-3

• 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: 37-Oxaundecacyclo[27.5.2.13,18.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]heptatriaconta-1(34),2(19),4(17),5,7,9,11,13,15,20(33),21,23(32),24,26(31),27,29,35-heptadecaene
• 英文别名: 37-oxaundecacyclo[27.5.2.13,18.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]heptatriaconta-1(34),2(19),4(17),5,7,9,11,13,15,20(33),21,23(32),24,26(31),27,29,35-heptadecaene
• CAS: 918968-95-3
• 化学式: C₃₆H₁₈O
• 分子量: 466.538
• InChiKey: BOQCDLHHERUYCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  37
• 可旋转键数：
  0
• 环数：
  11.0
• 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：

  37-Oxaundecacyclo[27.5.2.13,18.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]heptatriaconta-1(34),2(19),4(17),5,7,9,11,13,15,20(33),21,23(32),24,26(31),27,29,35-heptadecaene 在 lithium aluminium tetrahydride 、 四氯化钛 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到Decacyclo[27.5.2.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23(32),24,26(31),27,29,33,35-octadecaene
  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 、 potassium tert-butylate 、 sodium amide 作用下， 以 氯仿 、 1,2-二氯乙烷 为溶剂， 反应 0.25h， 生成 37-Oxaundecacyclo[27.5.2.13,18.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]heptatriaconta-1(34),2(19),4(17),5,7,9,11,13,15,20(33),21,23(32),24,26(31),27,29,35-heptadecaene
  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