(33R,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(2,6)-dipyridina-3(3,17)-cyclopenta[a]phenanthrenacyclononadecaphane | 1011299-72-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (33R,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(2,6)-dipyridina-3(3,17)-cyclopenta[a]phenanthrenacyclononadecaphane
• CAS: 1011299-72-1
• 化学式: C₄₀H₆₀N₄O₄
• 分子量: 660.941
• InChiKey: ZFZFUVZVLIQUES-VDVPSNPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.25
• 重原子数：
  48.0
• 可旋转键数：
  0.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  3,24-二(6-氯吡啶-2-氧基)胆烷 、 1,8-二氨基-3,6-二氧杂辛烷 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 15.0h， 以6%的产率得到(33R,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(2,6)-dipyridina-3(3,17)-cyclopenta[a]phenanthrenacyclononadecaphane
  参考文献：
  名称：

  Palladium-catalyzed amination in the synthesis of macrocycles comprising cholane, polyamine and pyridine units

  摘要：

  3,24-Bis(6-chloropyridin-2-yloxy)cholane, obtained from 3,24-cholandiol via a Mitsunobu reaction, was successfully used for the synthesis of a variety of polyazamacrocycles using Pd-catalyzed amination reaction with linear polyamines. The competing formation of cyclodimers and other cyclic oligomers was found to be strongly dependent on the nature of the polyamines employed. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.049