Chloressigsaeure-fluorenyl-(9)-ester | 14159-51-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: Chloressigsaeure-fluorenyl-(9)-ester
• CAS: 14159-51-4
• 化学式: C₁₅H₁₁ClO₂
• 分子量: 258.704
• InChiKey: SPITZJWFWVUNLX-UHFFFAOYSA-N

物化性质

• 沸点：
  396.8±37.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Chloressigsaeure-fluorenyl-(9)-ester 、 1,4,7,10-tetraazacyclododecane tetrahydrochloride 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 以70%的产率得到1,4,7,10-tetrakis[(fluorenoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododecane-NaCl complex
  参考文献：
  名称：

  Ester-Armed Cyclens Having Quadruplicated Helical Geometry:  Remarkably Stable and Selective Encapsulation of Na⁺ Ion

  摘要：

  A new series of ester-armed cyclens nicely accommodated a Na+ ion in their quadruplicated helical binding spheres and effectively discriminated the cation from Li+ and K+ ions. Crystallographic studies revealed that four ester-functionalized sidearms provided effective coordination with the Na+ ion trapped in the 12-membered cyclen ring. Log K values for their Na+ complexes were estimated as 9-11 in CD3CN or C2D5OD, which were comparable to those of common bicyclic cryptands. FAB-MS, liquid-liquid extraction, and NMR binding experiments demonstrated that the cooperative action of the parent cyclen ring and ester-functionalized sidearms offered stable and selective encapsulation of the Na+ ion based on unique quadruplicated helical geometry.

  DOI：

  10.1021/jo010396c
• 作为产物：
  描述：

  氯乙酸 、 9-重氮基-9H-芴 生成 Chloressigsaeure-fluorenyl-(9)-ester
  参考文献：
  名称：

  Klages,F. et al., Chemische Berichte, 1966, vol. 99, p. 1704 - 1711

  摘要：

  DOI：