| 1133232-97-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1133232-97-9
• 化学式: C₇₄H₁₀₇IO₃₀S
• 分子量: 1635.62
• InChiKey: AVOAAXBZDLYNGF-FBJFNLPSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  106.0
• 可旋转键数：
  27.0
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  276.9
• 氢给体数：
  0.0
• 氢受体数：
  31.0

反应信息

• 作为反应物：
  描述：

  、 在 copper(l) iodide 、 tris(3-sulfonatophenyl)phosphine hydrate sodium salt 、 palladium diacetate 、 sodium carbonate 、 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 以54%的产率得到
  参考文献：
  名称：

  Synthesis of linked symmetrical [3] and [5]rotaxanes having an oligomeric phenylene ethynylene (OPE) core skeleton as a π-conjugated guest via double intramolecular self-inclusion

  摘要：

  Linked symmetrical [3] and [5] rotaxanes consisting of an oligomeric phenylene ethynylene (OPE) framework as a pi-conjugated guest moiety and lipophilic permethylated alpha-cyclodextrins (PM alpha-CDs), as macrocyclic hosts have been prepared by double intramolecular self-inclusion of an OPE guest unit carrying two PM alpha-CDs followed by capping with bulky stopper groups using click azide-alkyne Huisgen cycloaddition or Sonogashira coupling. The structures of these linked rotaxanes were determined by MALDI-TOF mass spectrum and two-dimensional NMR spectroscopy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.087
• 作为产物：
  描述：

  在 硫酸 、 potassium iodide 、 sodium nitrite 作用下， 以 水 为溶剂， 以54%的产率得到
  参考文献：
  名称：

  Synthesis of linked symmetrical [3] and [5]rotaxanes having an oligomeric phenylene ethynylene (OPE) core skeleton as a π-conjugated guest via double intramolecular self-inclusion

  摘要：

  Linked symmetrical [3] and [5] rotaxanes consisting of an oligomeric phenylene ethynylene (OPE) framework as a pi-conjugated guest moiety and lipophilic permethylated alpha-cyclodextrins (PM alpha-CDs), as macrocyclic hosts have been prepared by double intramolecular self-inclusion of an OPE guest unit carrying two PM alpha-CDs followed by capping with bulky stopper groups using click azide-alkyne Huisgen cycloaddition or Sonogashira coupling. The structures of these linked rotaxanes were determined by MALDI-TOF mass spectrum and two-dimensional NMR spectroscopy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.087