12,13,40,41-Tetramethoxynonacyclo[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 | 1026535-13-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 12,13,40,41-Tetramethoxynonacyclo[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: 1026535-13-6
• 化学式: C₆₀H₅₆O₆
• 分子量: 873.101
• InChiKey: JAXAYZDPVNSOIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  66
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  12,13,40,41-Tetramethoxynonacyclo[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 在 Celite 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 Tetramethoxy<1₈>OCP-1,4-dione
  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
• 作为产物：
  描述：

  2-(tetrahydropyranyloxy)methylbromobenzene 在 吡啶 、 copper(l) iodide 、 正丁基锂 、 氯化亚砜 、 Celite 、 对甲苯磺酸 、 magnesium 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 为溶剂， 反应 41.5h， 生成 12,13,40,41-Tetramethoxynonacyclo[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

文献信息

• Orthocyclophanes. 4. Functionalization of [1n]Orthocyclophanes on the Aromatic Rings
  作者：Woo Young Lee、Chang Hee Park、Eun Hee Kim

  DOI：10.1021/jo00095a026

  日期：1994.8

  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.