3,3',3''-(3-(4-iodophenyl)prop-2-yne-1,1,1-triyl)tris(methoxybenzene) | 958650-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 3,3',3''-(3-(4-iodophenyl)prop-2-yne-1,1,1-triyl)tris(methoxybenzene)
• CAS: 958650-56-1
• 化学式: C₃₀H₂₅IO₃
• 分子量: 560.431
• InChiKey: MEBYPZCPCQLMCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3,3',3''-(3-(4-iodophenyl)prop-2-yne-1,1,1-triyl)tris(methoxybenzene) 在 三溴化硼 、 sodium hydride 、 二异丙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 51.25h， 生成 3,3',3''-(3-(4-(3,3,3-tris(3-((10-bromodecyl)oxy)phenyl)prop-1-yn-1-yl)phenyl)prop-2-yne-1,1,1-triyl)triphenol
  参考文献：
  名称：

  Synthesis of a Triply-Bridged Molecular Gyroscope by a Directed Meridional Cyclization Strategy

  摘要：

  A crystalline triply bridged molecular gyroscope has been prepared and analyzed by single-crystal X-ray diffraction. A convergent synthetic strategy was developed to control the direction of the three bridges, from the preferred two zonal and one meridional arrangement of a one-step cylclization process to the directed three meridional bridges achieved by a north-south desymmetrization.

  DOI：

  10.1021/ol071379y
• 作为产物：
  描述：

  tris(meta-methoxy)tritylacetylene 、 1,4-二碘苯 在 bis-triphenylphosphine-palladium(II) chloride 哌啶 、 copper(l) iodide 作用下， 反应 22.0h， 以60%的产率得到3,3',3''-(3-(4-iodophenyl)prop-2-yne-1,1,1-triyl)tris(methoxybenzene)
  参考文献：
  名称：

  Synthesis of a Triply-Bridged Molecular Gyroscope by a Directed Meridional Cyclization Strategy

  摘要：

  A crystalline triply bridged molecular gyroscope has been prepared and analyzed by single-crystal X-ray diffraction. A convergent synthetic strategy was developed to control the direction of the three bridges, from the preferred two zonal and one meridional arrangement of a one-step cylclization process to the directed three meridional bridges achieved by a north-south desymmetrization.

  DOI：

  10.1021/ol071379y