[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-[6-(4-bromobutoxy)naphthalen-2-yl]oxyhexanoate | 945223-37-0

• 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: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-[6-(4-bromobutoxy)naphthalen-2-yl]oxyhexanoate
• CAS: 945223-37-0
• 化学式: C₄₇H₆₉BrO₄
• 分子量: 777.966
• InChiKey: PRGYHNLJOISHTD-WWADYPEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  52
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-[6-(4-bromobutoxy)naphthalen-2-yl]oxyhexanoate 、 4,4’-二羟基偶氮苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以65%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 6-((6-(4-(4-((E)-(4-hydroxyphenyl)diazenyl)phenoxy)butoxy)naphthalen-2-yl)oxy)hexanoate
  参考文献：
  名称：

  Monodispersive Linear Supermolecules Stabilizing Unusual Fluid Layered Phases

  摘要：

  The first examples of monodisperse liquid crystalline pentamers, synthesized by covalently linking five mesogenic segments through four flexible spacers, exhibiting mono-/partially bilayered phases with unusual textures, as established by optical, calorimetric, and X-ray diffraction studies, are reported. Importantly, the two types of multifunctional pentamers, namely, unsymmetric and C-2 symmetric are soluble in organic solvents and exhibit analogous electrochemical features.

  DOI：

  10.1021/ol070808p
• 作为产物：
  描述：

  2,6-萘二酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 48.0h， 生成 [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-[6-(4-bromobutoxy)naphthalen-2-yl]oxyhexanoate
  参考文献：
  名称：

  Monodispersive Linear Supermolecules Stabilizing Unusual Fluid Layered Phases

  摘要：

  The first examples of monodisperse liquid crystalline pentamers, synthesized by covalently linking five mesogenic segments through four flexible spacers, exhibiting mono-/partially bilayered phases with unusual textures, as established by optical, calorimetric, and X-ray diffraction studies, are reported. Importantly, the two types of multifunctional pentamers, namely, unsymmetric and C-2 symmetric are soluble in organic solvents and exhibit analogous electrochemical features.

  DOI：

  10.1021/ol070808p

文献信息

• Monodispersive Linear Supermolecules Stabilizing Unusual Fluid Layered Phases
  作者：Channabasaveshwar V. Yelamaggad、Ammathnadu S. Achalkumar、Doddamane S. Shankar Rao、S. Krishna Prasad

  DOI：10.1021/ol070808p

  日期：2007.7.1

  The first examples of monodisperse liquid crystalline pentamers, synthesized by covalently linking five mesogenic segments through four flexible spacers, exhibiting mono-/partially bilayered phases with unusual textures, as established by optical, calorimetric, and X-ray diffraction studies, are reported. Importantly, the two types of multifunctional pentamers, namely, unsymmetric and C-2 symmetric are soluble in organic solvents and exhibit analogous electrochemical features.