| 1187642-59-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• CAS: 1187642-59-6
• 化学式: C₅₂H₇₄N₄O₅
• 分子量: 835.183
• InChiKey: CUEIDQNYFFZXRD-OPOXHXKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.89
• 重原子数：
  61.0
• 可旋转键数：
  22.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  109.98
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  4,7,10-三氧-1,13-十三烷二胺 、 3,24-di-(8-chloroquinolinyl-2-oxy)cholane 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以59%的产率得到
  参考文献：
  名称：

  Palladium-catalyzed amination in the synthesis of nitrogen and oxygen heterocycles containing fragments of cholane and quinoline

  摘要：

  By Mitsunobu reaction from 3,24-cholanediol and 2-hydroxy-8-chloroquinoline 24-(8-chloroquinolinyl-2-oxy)cholan-3-ol and 3,24-di(8-chloroquinolinyl-2-oxy)cholane were synthesized. These compounds were brought into reactions of palladium-catalyzed amination with propanediamine, oxaalkane diamines, and N,N'-bis(3-aminopropyl)ethylenediamine to obtain macrocycles of various structures, linear mono- and bis(steroid) derivatives of trioxaalkane diamine, and also cholane bis(oxaalkandiamine) derivative. The dependence was demonstrated of macrocyles and cyclooligomers yield on the polyamine nature. 4-Hydroxy-7-chloroquinoline afforded only 24-(7-chloroquinolinyl-4-oxy)cholan-3-ol.

  DOI：

  10.1134/s1070428009020213