Pentadecacyclo[24.20.0.02,44.03,7.04,25.05,22.06,11.010,14.012,21.013,18.029,46.030,39.033,38.037,41.040,45]hexatetraconta-1,3,5(22),6,8,10,12(21),13(18),14,16,19,23,25,27,29(46),30(39),31,33(38),34,36,40,42,44-tricosaene | 1380302-47-5

• 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: Pentadecacyclo[24.20.0.02,44.03,7.04,25.05,22.06,11.010,14.012,21.013,18.029,46.030,39.033,38.037,41.040,45]hexatetraconta-1,3,5(22),6,8,10,12(21),13(18),14,16,19,23,25,27,29(46),30(39),31,33(38),34,36,40,42,44-tricosaene
• 英文别名: pentadecacyclo[24.20.0.02,44.03,7.04,25.05,22.06,11.010,14.012,21.013,18.029,46.030,39.033,38.037,41.040,45]hexatetraconta-1,3,5(22),6,8,10,12(21),13(18),14,16,19,23,25,27,29(46),30(39),31,33(38),34,36,40,42,44-tricosaene
• CAS: 1380302-47-5
• 化学式: C₄₆H₁₈
• 分子量: 570.649
• InChiKey: AAJSMGGGTCRFOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  46
• 可旋转键数：
  0
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  17,20,29,32-Tetrafluoroundecacyclo[24.20.0.02,23.05,22.06,15.09,14.016,21.027,44.028,33.034,43.035,40]hexatetraconta-1(26),2(23),3,5(22),6(15),7,9,11,13,16,18,20,24,27(44),28,30,32,34(43),35,37,39,41,45-tricosaene 在 aluminum oxide 作用下， 反应 10.0h， 以100%的产率得到Pentadecacyclo[24.20.0.02,44.03,7.04,25.05,22.06,11.010,14.012,21.013,18.029,46.030,39.033,38.037,41.040,45]hexatetraconta-1,3,5(22),6,8,10,12(21),13(18),14,16,19,23,25,27,29(46),30(39),31,33(38),34,36,40,42,44-tricosaene
  参考文献：
  名称：

  通过HF消除区域特异性的海湾区域闭合，方便地进行Bucky-Bowl合成

  摘要：

  积木：有效的分子内芳基-芳基偶联是合理的富勒烯合成和延伸的Buckybowl结构合成中的关键步骤。通过对活性Al 2 O 3进行定量的HF消除，可以非常有效地实现这一过程。该过程的特点是前所未有的高化学选择性和区域特异性。

  DOI：

  10.1002/anie.201200516

文献信息

• Facile Bucky-Bowl Synthesis by Regiospecific Cove-Region Closure by HF Elimination
  作者：K. Yu. Amsharov、M. A. Kabdulov、Martin Jansen

  DOI：10.1002/anie.201200516

  日期：2012.5.7

  intramolecular aryl–aryl coupling is the key step in rational fullerene synthesis and in synthesis of extended buckybowl structures. Such a process can be embodied very efficiently through quantitative HF elimination on active Al2O3. The process is characterized by an unprecedentedly high chemoselectivity and regiospecificity.

  积木：有效的分子内芳基-芳基偶联是合理的富勒烯合成和延伸的Buckybowl结构合成中的关键步骤。通过对活性Al 2 O 3进行定量的HF消除，可以非常有效地实现这一过程。该过程的特点是前所未有的高化学选择性和区域特异性。