(3β,5β)-24-(6-chloropyridin-2-yloxy)cholane | 1224736-57-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3β,5β)-24-(6-chloropyridin-2-yloxy)cholane
• CAS: 1224736-57-5
• 化学式: C₂₉H₄₄ClNO₂
• 分子量: 474.127
• InChiKey: QTDBGTSAEVMKEN-MMCCNUGRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.55
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  42.35
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3β,5β)-24-(6-chloropyridin-2-yloxy)cholane 、 N,N-二(3-氨丙基)乙基乙胺 在 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以27%的产率得到(3β,5β,3'β,5'β)-24,24'-[ethane-1,2-diyldi(iminopropane-3,1-diyliminopyridine-6,2-diyloxy)]bis(cholan-3-ol)
  参考文献：
  名称：

  Palladium-catalyzed amination in the synthesis and modification of acyclic oxadiamino cholane derivatives

  摘要：

  Palladium-catalyzed reactions of 24-(haloaryloxy)cholanes and 3,24-bis(haloaryloxy)cholanes with excess oxadiamines gave the corresponding mono- and bis(oxadiamino)-substituted cholanes which were subjected to palladium-catalyzed arylation with 1,3-dibromobenzene, 2,6-dibromopyridine, 1,8-dichloroanthracene, 9-bromoanthracene, 1-chloroanthracene, and 1-chloroanthraquinone. The results of these reactions were found to strongly depend on the haloarene nature. The arylation with 1,3-dibromobenzene and 2,6-dibromopyridine led to the formation of new macrocyclic compounds containing one cholane, one arene, and two oxadiamine fragments.

  DOI：

  10.1134/s1070428009120021