(3,5-Diethynylphenyl) 3,5-bis(phenylmethoxy)benzoate | 1149054-59-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: (3,5-Diethynylphenyl) 3,5-bis(phenylmethoxy)benzoate
• CAS: 1149054-59-0
• 化学式: C₃₁H₂₂O₄
• 分子量: 458.513
• InChiKey: ULPKWXFWSGFTFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,5-二苄氧基苯甲酸 、 3,5-二乙炔基苯酚 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以76%的产率得到(3,5-Diethynylphenyl) 3,5-bis(phenylmethoxy)benzoate
  参考文献：
  名称：

  Synthesis of Six-Component Metallodendrimers via [3 + 3] Coordination-Driven Self-Assembly

  摘要：

  A new class of 120 degrees dendritic di-Pt(II) acceptor subunits has been designed and synthesized, from which six-component hexagonal metallodendrimers were easily formed with 120 degrees dendritic dipyridine donors via [3 + 3] coordination-driven self-assembly. The structures of all metallodendrimers are confirmed by multinuclear NMR, ESI-TOF-MS/ESI-FTMS, and elemental analysis. MMFF force-field simulations indicates that all metallodendrimers have a hexagonal ring with an internal radius of approximately 1.4 nm.

  DOI：

  10.1021/jo900067v

文献信息

• Synthesis of Six-Component Metallodendrimers via [3 + 3] Coordination-Driven Self-Assembly
  作者：Hai-Bo Yang、Brian H. Northrop、Yao-Rong Zheng、Koushik Ghosh、Matthew M. Lyndon、David C. Muddiman、Peter J. Stang

  DOI：10.1021/jo900067v

  日期：2009.5.1

  A new class of 120 degrees dendritic di-Pt(II) acceptor subunits has been designed and synthesized, from which six-component hexagonal metallodendrimers were easily formed with 120 degrees dendritic dipyridine donors via [3 + 3] coordination-driven self-assembly. The structures of all metallodendrimers are confirmed by multinuclear NMR, ESI-TOF-MS/ESI-FTMS, and elemental analysis. MMFF force-field simulations indicates that all metallodendrimers have a hexagonal ring with an internal radius of approximately 1.4 nm.