7-[1-[(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]triazol-4-yl]-3,11-dithia-7lambda5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 7-oxide | 1565803-02-2

• 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
• 英文名称: 7-[1-[(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]triazol-4-yl]-3,11-dithia-7lambda5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 7-oxide
• 英文别名: 7-[1-[(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]triazol-4-yl]-3,11-dithia-7λ5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 7-oxide
• CAS: 1565803-02-2
• 化学式: C₃₇H₅₀N₃OPS₂
• 分子量: 647.929
• InChiKey: VJRALMKBYPBZDK-GTXOTYDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-Ethynyl-3,11-dithia-7lambda5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 7-oxide 、 3β-azido-5-cholestene 在 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 7-[1-[(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]triazol-4-yl]-3,11-dithia-7lambda5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 7-oxide
  参考文献：
  名称：

  Synthesis and Properties of Cholesteric Click-Phospholes

  摘要：

  Inspired by naturally occurring helical supramolecular architectures, a series of chiral conjugated phospholes with a cholesteryl pendant have been synthesized and characterized. The photophysically and electrochemically active conjugated phosphole species can act as dopants for the formation of chiral liquid crystals. The supramolecular structures were found to be tunable by careful choice of the conjugated headgroup as well as the rigidity of the linker of the new cholesteric phospholes.

  DOI：

  10.1021/ol500129p