3,24-二(6-氯吡啶-2-氧基)胆烷 | 1011299-65-2

• 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
• 中文名称: 3,24-二(6-氯吡啶-2-氧基)胆烷
• 英文名称: 3,24-di(6-chloropyridin-2-yloxy)cholane
• 英文别名: 3,24-Bis(6-chloropyridin-2-yloxy)-3alpha,5beta-cholane；2-chloro-6-[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-(6-chloropyridin-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]pyridine
• CAS: 1011299-65-2
• 化学式: C₃₄H₄₆Cl₂N₂O₂
• 分子量: 585.657
• InChiKey: TZJFYUDRZBKKHN-CYNKCEKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3'-二氨基二丙基胺 、 3,24-二(6-氯吡啶-2-氧基)胆烷 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10%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-dioxa-10,14,18-triaza-1,9(2,6)-dipyridina-3(3,17)-cyclopenta[a]phenanthrenacyclooctadecaphane
  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
• 作为产物：
  描述：

  6-氯吡啶-2-醇 、 5β-cholane-3α,24-diol 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 以85%的产率得到3,24-二(6-氯吡啶-2-氧基)胆烷
  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