N,N'-(ethane-1,2-diyl)diandrost-16-ene-17-carboxamide | 1432623-25-0

• 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: N,N'-(ethane-1,2-diyl)diandrost-16-ene-17-carboxamide
• 英文别名: (5R,8R,9S,10S,13S,14S)-N-[2-[[(5R,8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
• CAS: 1432623-25-0
• 化学式: C₄₂H₆₄N₂O₂
• 分子量: 628.982
• InChiKey: ZLXRJWKBYGFENL-CWZCXQSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  一氧化碳 、 17-iodo-androst-16-ene 、 乙二胺 在 palladium diacetate 、 三乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 100.0 ℃ 、3.0 MPa 条件下， 反应 5.0h， 以91%的产率得到N,N'-(ethane-1,2-diyl)diandrost-16-ene-17-carboxamide
  参考文献：
  名称：

  A new facile synthesis of steroid dimers containing 17,17′-dicarboxamide spacers

  摘要：

  A set of new steroid dimers linked through ring D-ring D were synthesized via catalytic diaminocarbonylation of 17-iodo-5 alpha-androst-16-ene, in the presence of palladium-phosphine in situ catalysts and aliphatic or aromatic diamines as N-nucleophiles. The dimeric steroidal compounds containing 17,17'-dicarboxamide spacers were obtained through highly chemoselective reactions in good isolated yields and completely characterized by spectroscopic techniques. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.108

文献信息

• A new facile synthesis of steroid dimers containing 17,17′-dicarboxamide spacers
  作者：Rui M.B. Carrilho、Mariette M. Pereira、Maria José S.M. Moreno、Attila Takács、László Kollár

  DOI：10.1016/j.tetlet.2013.02.108

  日期：2013.5

  A set of new steroid dimers linked through ring D-ring D were synthesized via catalytic diaminocarbonylation of 17-iodo-5 alpha-androst-16-ene, in the presence of palladium-phosphine in situ catalysts and aliphatic or aromatic diamines as N-nucleophiles. The dimeric steroidal compounds containing 17,17'-dicarboxamide spacers were obtained through highly chemoselective reactions in good isolated yields and completely characterized by spectroscopic techniques. (C) 2013 Elsevier Ltd. All rights reserved.