6,6'-[(3β,5β)-cholane-3,24-diyldi(oxy)]bis(N-{3-[4-(3-aminopropoxy)butoxy]propyl}pyridin-2-amine) | 1224736-83-7

• 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: 6,6'-[(3β,5β)-cholane-3,24-diyldi(oxy)]bis(N-{3-[4-(3-aminopropoxy)butoxy]propyl}pyridin-2-amine)
• 英文别名: 6,6'-[(3beta,5beta)-cholane-3,24-diyldi(oxy)]bis-(N-{3-[4-(3-aminopropoxy)butoxy]propyl}pyridin-2-amine)；N-[3-[4-(3-aminopropoxy)butoxy]propyl]-6-[(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[6-[3-[4-(3-aminopropoxy)butoxy]propylamino]pyridin-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentoxy]pyridin-2-amine
• CAS: 1224736-83-7
• 化学式: C₅₄H₉₂N₆O₆
• 分子量: 921.361
• InChiKey: SVPALBMCFSISPR-NOXUELQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  66
• 可旋转键数：
  34
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  157
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4,8-二氧-十二烷-1,12-二胺 、 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， 生成 6,6'-[(3β,5β)-cholane-3,24-diyldi(oxy)]bis(N-{3-[4-(3-aminopropoxy)butoxy]propyl}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