12,13-Dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-diol | 1026872-26-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 12,13-Dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-diol
• CAS: 1026872-26-3
• 化学式: C₅₈H₅₂O₄
• 分子量: 813.048
• InChiKey: UGVNNOLQMPFPPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  62
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  12,13-Dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-diol 以27%的产率得到
  参考文献：
  名称：

  Lee Woo Young, Park Chang Hee, Kim Eun Hee, J. Org. Chem, 59 (1994) N 16, S 4495- 4500

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴苄醇 在 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 、 正己烷 、 溶剂黄146 为溶剂， 反应 10.5h， 生成 12,13-Dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-diol
  参考文献：
  名称：

  Orthocyclophanes. 4. Functionalization of [1n]Orthocyclophanes on the Aromatic Rings

  摘要：

  Functionalization of the [1(n)]orthocyclophanes ([1(n)]OCPs) has been accomplished by introducing groups on the aromatic rings of the cycles. Dilithiation of dibromoaromatic 10 followed by condensation with various aromatic dialdehydes, such as 14, 20, and 30, gave rise to [1(n)]OCP cycles bearing methoxy groups on the aromatic rings. Several polymethoxy[1(n)]OCPs have been prepared that are reasonably soluble inorganic solvents, in contrast to their parent hydrocarbons. Since methoxy functions can be converted to phenolic hydroxy groups and then to other functionalities, the methoxy derivatives may have broad applications to the modification of [1(n)]OCPs for the preparation of a variety of supramolecules.

  DOI：

  10.1021/jo00095a026