(33S,35R,38R,39S,310S,313R,314S,317R,4R)-310,313,4-trimethyl-32,33,34,35,36,37,38,39,310,311,312,313,314,315,316,317-hexadecahydro-31H-2,8,13,16-tetraoxa-10,19-diaza-1,9(2,8)-diquinolina-3(3,17)-cyclopenta[a]phenanthrenacyclononadecaphane | 1187642-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (33S,35R,38R,39S,310S,313R,314S,317R,4R)-310,313,4-trimethyl-32,33,34,35,36,37,38,39,310,311,312,313,314,315,316,317-hexadecahydro-31H-2,8,13,16-tetraoxa-10,19-diaza-1,9(2,8)-diquinolina-3(3,17)-cyclopenta[a]phenanthrenacyclononadecaphane
• CAS: 1187642-62-1
• 化学式: C₄₈H₆₄N₄O₄
• 分子量: 761.061
• InChiKey: CECVNOHYLWLTMF-GRJSYJQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.56
• 重原子数：
  56.0
• 可旋转键数：
  0.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  86.76
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1,8-二氨基-3,6-二氧杂辛烷 、 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， 以16%的产率得到(33S,35R,38R,39S,310S,313R,314S,317R,4R)-310,313,4-trimethyl-32,33,34,35,36,37,38,39,310,311,312,313,314,315,316,317-hexadecahydro-31H-2,8,13,16-tetraoxa-10,19-diaza-1,9(2,8)-diquinolina-3(3,17)-cyclopenta[a]phenanthrenacyclononadecaphane
  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