(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2-((S)-3-methyl-2-((S)-pyrrolidine-2-carboxamido)butanamido)ethyl)carbamate | 1438253-86-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2-((S)-3-methyl-2-((S)-pyrrolidine-2-carboxamido)butanamido)ethyl)carbamate
• CAS: 1438253-86-1
• 化学式: C₄₀H₆₈N₄O₄
• 分子量: 669.004
• InChiKey: GCJULMYWBFRHHY-TYDSMVQWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.13
• 重原子数：
  48.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  108.56
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以89%的产率得到(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2-((S)-3-methyl-2-((S)-pyrrolidine-2-carboxamido)butanamido)ethyl)carbamate
  参考文献：
  名称：

  Water promoted enantioselective aldol Reaction by proline-cholesterol and -diosgenin based amphiphilic organocatalysts

  摘要：

  A series of proline-cholesterol and -diosgenin based amphiphilic organocatalysts were developed for the first time, and their catalytic activities for the enantioselective aldol reaction were investigated. The results indicated that water can significantly enhance the activity and stereoselectivity of the transformation via micelle formation. TEM and AFM analysis demonstrated that the diameter of the micelle particles ranged from 200 to 800 nm. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.078
• 作为试剂：
  描述：

  环己酮 、 对硝基苯甲醛 在 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2-((S)-3-methyl-2-((S)-pyrrolidine-2-carboxamido)butanamido)ethyl)carbamate 作用下， 以 neat (no solvent) 为溶剂， 反应 24.0h， 以87%的产率得到
  参考文献：
  名称：

  Water promoted enantioselective aldol Reaction by proline-cholesterol and -diosgenin based amphiphilic organocatalysts

  摘要：

  A series of proline-cholesterol and -diosgenin based amphiphilic organocatalysts were developed for the first time, and their catalytic activities for the enantioselective aldol reaction were investigated. The results indicated that water can significantly enhance the activity and stereoselectivity of the transformation via micelle formation. TEM and AFM analysis demonstrated that the diameter of the micelle particles ranged from 200 to 800 nm. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.078