<1₆>Orthocyclophane-1,4-dione | 147053-68-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: <1₆>Orthocyclophane-1,4-dione
• 英文别名: dioxo<1₆>orthocyclophane；Heptacyclo[36.4.0.03,8.010,15.017,22.024,29.031,36]dotetraconta-1(42),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40-octadecaene-2,23-dione
• CAS: 147053-68-7
• 化学式: C₄₂H₃₂O₂
• 分子量: 568.715
• InChiKey: SBBLYEPDLHLQQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  <1₆>Orthocyclophane-1,4-dione 在 ammonium cerium(IV) nitrate 、 溶剂黄146 作用下， 反应 168.0h， 生成 <16>Orthocyclophanepentaone
  参考文献：
  名称：

  A novel star-shaped crown ether: spontaneous isomerization of a macrocyclic polyketone to a spirobicyclic polyketal

  摘要：

  DOI：

  10.1021/ja00056a074
• 作为产物：
  描述：

  在 N,N'-二环己基碳二亚胺 作用下， 生成 <1₆>Orthocyclophane-1,4-dione
  参考文献：
  名称：

  A novel star-shaped crown ether: spontaneous isomerization of a macrocyclic polyketone to a spirobicyclic polyketal

  摘要：

  DOI：

  10.1021/ja00056a074

文献信息

• Orthocyclophanes. 2. Starands, a new family of macrocycles of spirobicyclic polyketals with a 2n-crown-n moiety
  作者：Woo Young Lee、Chang Hee Park

  DOI：10.1021/jo00077a044

  日期：1993.12

  Synthesis and functionalization of higher members of the [1n]orthocyclophanes, or [1n]OCPs, have been investigated. Oxidation of the benzylic methylenes in [1n]OCPs gave the polyoxo derivatives. Exhaustive oxidation of all methylenes in even-numbered [1n]OCPs gave rearranged isomers of the cyclopolyketal structure instead of the corresponding polyoxo derivatives. We propose the class name ''starands'' for this new family of crown compounds for their star-shaped crown ether structure. Detailed synthesis and characterization of two starands are described.
• A novel star-shaped crown ether: spontaneous isomerization of a macrocyclic polyketone to a spirobicyclic polyketal
  作者：Woo Young Lee、Chang Hee Park、Sangsoo Kim

  DOI：10.1021/ja00056a074

  日期：1993.2