4'-[11-(1,1,3,3-Tetramethyl-disiloxanyl)-undecyloxy]-biphenyl-4-carboxylic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester | 872438-13-6

• 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: 4'-[11-(1,1,3,3-Tetramethyl-disiloxanyl)-undecyloxy]-biphenyl-4-carboxylic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
• CAS: 872438-13-6
• 化学式: C₅₅H₈₈O₄Si₂
• 分子量: 869.472
• InChiKey: JBRSHHNELWFXLK-LVKZUIGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.02
• 重原子数：
  61.0
• 可旋转键数：
  23.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4'-[11-(1,1,3,3-Tetramethyl-disiloxanyl)-undecyloxy]-biphenyl-4-carboxylic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 、 4-vinyl-3,5,8-trioxa-1-aza-4-sila-2,6,7(1,2)-tribenzena-bicyclo[2.2.2]octaphane 在 chloroplatinic acid 1,1,3,3-tetramethyl-1,3-divinyldisiloxane complex 作用下， 以 甲苯 、 xylene 为溶剂， 反应 20.0h， 以65%的产率得到[(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] 4-[4-[11-[[dimethyl-[2-(8,10,23-trioxa-1-aza-9-silapentacyclo[7.7.7.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaen-9-yl)ethyl]silyl]oxy-dimethylsilyl]undecoxy]phenyl]benzoate
  参考文献：
  名称：

  Cholesteric Silatranes

  摘要：

  Most liquid crystals with a C-3 symmetry have so far been discotic systems, e.g., triphenylenes. In the context of calamitic systems research has concentrated on triptycenes and to a lesser extend on silatranes. In this contribution we report our investigations of cholesteric silatrane systems, which have been obtained by connecting a tribenzylsilatrane core to cholesteric groups via alkyl and siloxane spacer groups.

  DOI：

  10.1080/15421400590955118
• 作为产物：
  描述：

  4'-羟基联苯-4-羧酸 在 chloroplatinic acid 1,1,3,3-tetramethyl-1,3-divinyldisiloxane complex 4-二甲氨基吡啶 、 氢氧化钾 、 对甲苯磺酸 、 N,N'-二环己基碳二亚胺 、 potassium iodide 作用下， 以 乙醇 、 水 、 二甲基亚砜 、 甲苯 、 xylene 为溶剂， 反应 46.0h， 生成 4'-[11-(1,1,3,3-Tetramethyl-disiloxanyl)-undecyloxy]-biphenyl-4-carboxylic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
  参考文献：
  名称：

  Cholesteric Silatranes

  摘要：

  Most liquid crystals with a C-3 symmetry have so far been discotic systems, e.g., triphenylenes. In the context of calamitic systems research has concentrated on triptycenes and to a lesser extend on silatranes. In this contribution we report our investigations of cholesteric silatrane systems, which have been obtained by connecting a tribenzylsilatrane core to cholesteric groups via alkyl and siloxane spacer groups.

  DOI：

  10.1080/15421400590955118