(5S,22S)-30-methoxy-5,22-diphenyl-3,6,9,12,15,18,21,24-octaoxabicyclo[24.3.1]triaconta-1(29),26(30),27-triene | 548485-26-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (5S,22S)-30-methoxy-5,22-diphenyl-3,6,9,12,15,18,21,24-octaoxabicyclo[24.3.1]triaconta-1(29),26(30),27-triene
• CAS: 548485-26-3
• 化学式: C₃₅H₄₆O₉
• 分子量: 610.745
• InChiKey: TVLKZALKZUAVCN-KKLWWLSJSA-N

物化性质

• 沸点：
  768.7±60.0 °C(Predicted)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.32
• 重原子数：
  44.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  83.07
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (5S,22S)-30-methoxy-5,22-diphenyl-3,6,9,12,15,18,21,24-octaoxabicyclo[24.3.1]triaconta-1(29),26(30),27-triene 在 硝酸 、 sodium nitrite 、 乙硫醇钠 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 (5S,22S)-30-hydroxy-8-nitro-5,52-diphenyl-3,6,9,12,15,18,21,24-octaoxabicyclo[24.3.1]triaconta-1(29),26(30),27-triene
  参考文献：
  名称：

  Preparation of phenolic chiral crown ethers and podands and their enantiomer recognition ability toward secondary amines

  摘要：

  Phenolic pseudo-24-crown-8 (S,S)-3, pseudo-27-crown-9 (S,S)-4, and podands (R,R)-5 and (R,R)-6 possessing phenyl groups as chiral barriers were prepared and their chiral recognition properties toward secondary neutral amines were examined. Pseudo-24-crown-8 (S,S)-3 and podand (R,R)-5 showed sufficient binding ability and moderate chiral recognition ability toward secondary amines. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00031-4
• 作为产物：
  描述：

  (5S,22S)-8-bromo-30-methoxy-5,22-diphenyl-3,6,9,12,15,18,21,24-octaoxabicyclo[24.3.1]triaconta-1(29),26(30),27-triene 在 正丁基锂 、 水 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以68%的产率得到(5S,22S)-30-methoxy-5,22-diphenyl-3,6,9,12,15,18,21,24-octaoxabicyclo[24.3.1]triaconta-1(29),26(30),27-triene
  参考文献：
  名称：

  Preparation of phenolic chiral crown ethers and podands and their enantiomer recognition ability toward secondary amines

  摘要：

  Phenolic pseudo-24-crown-8 (S,S)-3, pseudo-27-crown-9 (S,S)-4, and podands (R,R)-5 and (R,R)-6 possessing phenyl groups as chiral barriers were prepared and their chiral recognition properties toward secondary neutral amines were examined. Pseudo-24-crown-8 (S,S)-3 and podand (R,R)-5 showed sufficient binding ability and moderate chiral recognition ability toward secondary amines. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00031-4