Tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaene-5,12,20-triol | 227620-07-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaene-5,12,20-triol
• CAS: 227620-07-7
• 化学式: C₂₁H₁₈O₃
• 分子量: 318.372
• InChiKey: HGNLRUMCCXKYAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  溴氯甲烷 、 Tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaene-5,12,20-triol 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以46%的产率得到cryptophane-1.1.1
  参考文献：
  名称：

  Scalable Synthesis of Cryptophane-1.1.1 and its Functionalization

  摘要：

  Cryptophanes, cage molecules for which xenon exhibits a high affinity, are good candidates for xenon biosensing. Cryptophane-1.1.1 (1) exhibits the highest binding constant for xenon encapsulation in organic solution determined to date. This property suggests that the cryptophane-1.1.1 core (1) is optimal for sensing applications. A high-yielding scalable synthesis of compound 1 is reported as well as an easy way to functionalize it.

  DOI：

  10.1021/ol902952h
• 作为产物：
  描述：

  在 20% palladium hydroxide on carbon 、 氢气 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到Tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaene-5,12,20-triol
  参考文献：
  名称：

  Scalable Synthesis of Cryptophane-1.1.1 and its Functionalization

  摘要：

  Cryptophanes, cage molecules for which xenon exhibits a high affinity, are good candidates for xenon biosensing. Cryptophane-1.1.1 (1) exhibits the highest binding constant for xenon encapsulation in organic solution determined to date. This property suggests that the cryptophane-1.1.1 core (1) is optimal for sensing applications. A high-yielding scalable synthesis of compound 1 is reported as well as an easy way to functionalize it.

  DOI：

  10.1021/ol902952h

文献信息

• Scalable Synthesis of Cryptophane-1.1.1 and its Functionalization
  作者：Ténin Traoré、Léa Delacour、Sébastien Garcia-Argote、Patrick Berthault、Jean-Christophe Cintrat、Bernard Rousseau

  DOI：10.1021/ol902952h

  日期：2010.3.5

  Cryptophanes, cage molecules for which xenon exhibits a high affinity, are good candidates for xenon biosensing. Cryptophane-1.1.1 (1) exhibits the highest binding constant for xenon encapsulation in organic solution determined to date. This property suggests that the cryptophane-1.1.1 core (1) is optimal for sensing applications. A high-yielding scalable synthesis of compound 1 is reported as well as an easy way to functionalize it.