| 259106-52-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 259106-52-0
• 化学式: C₂₆H₃₆O₈S₂
• 分子量: 540.699
• InChiKey: ALPRHYUWGFKNCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  36.0
• 可旋转键数：
  20.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 以80%的产率得到2,5,8,15,18,21-Hexaoxa-11,12-dithiatricyclo[20.8.0.024,29]triaconta-1(30),22,24,26,28-pentaene
  参考文献：
  名称：

  Synthesis of Sulfuric Macrocycles and a Rotaxane through Thiol-yne Click and Dithiol Coupling Reactions

  摘要：

  A macrocycle and a rotaxane were constructed by virtue of the thiol-yne click reaction under the irradiation of light in high yield, which can proceed at ambient temperature and humidity under an air atmosphere. Two disulfide macrocycles were synthesized through a simple dithiol coupling reaction, which exhibited high stability and a weak assembly interaction with a dialkylammonium ion.

  DOI：

  10.1021/ol1014569
• 作为产物：
  描述：

  2,3-bis(2-{2-[2-(p-tolylsulfonyloxy)ethoxy]ethoxy}ethoxy)naphthalene 、 potassium thioacetate 以 四氢呋喃 、 乙醇 为溶剂， 反应 6.0h， 以90%的产率得到
  参考文献：
  名称：

  Synthesis of Sulfuric Macrocycles and a Rotaxane through Thiol-yne Click and Dithiol Coupling Reactions

  摘要：

  A macrocycle and a rotaxane were constructed by virtue of the thiol-yne click reaction under the irradiation of light in high yield, which can proceed at ambient temperature and humidity under an air atmosphere. Two disulfide macrocycles were synthesized through a simple dithiol coupling reaction, which exhibited high stability and a weak assembly interaction with a dialkylammonium ion.

  DOI：

  10.1021/ol1014569