2,5,8,15,18,21,32,35,38,45,48,51-Dodecaoxa-11,12,41,42-tetrathiapentacyclo[50.8.0.022,31.024,29.054,59]hexaconta-1(60),22,24,26,28,30,52,54,56,58-decaene | 1240327-99-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,5,8,15,18,21,32,35,38,45,48,51-Dodecaoxa-11,12,41,42-tetrathiapentacyclo[50.8.0.022,31.024,29.054,59]hexaconta-1(60),22,24,26,28,30,52,54,56,58-decaene
• 英文别名: 2,5,8,15,18,21,32,35,38,45,48,51-dodecaoxa-11,12,41,42-tetrathiapentacyclo[50.8.0.022,31.024,29.054,59]hexaconta-1(60),22,24,26,28,30,52,54,56,58-decaene
• CAS: 1240327-99-4
• 化学式: C₄₄H₆₀O₁₂S₄
• 分子量: 909.217
• InChiKey: SYXVDDNQRKSHHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  60
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  212
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  2,5,8,15,18,21,32,35,38,45,48,51-Dodecaoxa-11,12,41,42-tetrathiapentacyclo[50.8.0.022,31.024,29.054,59]hexaconta-1(60),22,24,26,28,30,52,54,56,58-decaene 、 dibenzylammonium 以 氯仿 、 氘代乙腈 为溶剂， 生成
  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：

  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

文献信息

• Synthesis of Sulfuric Macrocycles and a Rotaxane through Thiol-yne Click and Dithiol Coupling Reactions
  作者：Weidong Zhou、Haiyan Zheng、Yongjun Li、Huibiao Liu、Yuliang Li

  DOI：10.1021/ol1014569

  日期：2010.9.17

  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.