N,N'-{3,3'-[butane-1,4-diyldi(oxy)]bis(propane-3,1-diyl)}di(anthracen-9-amine) | 1224736-91-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N,N'-{3,3'-[butane-1,4-diyldi(oxy)]bis(propane-3,1-diyl)}di(anthracen-9-amine)
• CAS: 1224736-91-7
• 化学式: C₃₈H₄₀N₂O₂
• 分子量: 556.748
• InChiKey: YQGBVWIBXXTPNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.42
• 重原子数：
  42.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  42.52
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4,8-二氧-十二烷-1,12-二胺 、 9-溴蒽 、 3,24-bis(6-chloropyridin-2-yloxy)-3α,5β-cholane 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 4.0h， 以13%的产率得到N-(3-{4-[3-(9-anthrylamino)propoxy]butoxy}propyl)-6-{[(3β,5β)-24-({6-[(3-{4-[3-(9-anthrylamino)propoxy]butoxy}propyl)amino]pyridin-2-yl}oxy)cholan-3-yl]oxy}pyridin-2-amine
  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