1-(4-iodobenzoyl)-5-(7-tridecyl)dipyrromethane | 760949-75-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-iodobenzoyl)-5-(7-tridecyl)dipyrromethane
• 英文别名: [5-[2-hexyl-1-(1H-pyrrol-2-yl)octyl]-1H-pyrrol-2-yl]-(4-iodophenyl)methanone
• CAS: 760949-75-5
• 化学式: C₂₉H₃₉IN₂O
• 分子量: 558.546
• InChiKey: PHAYVQISGYUTNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  33
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  48.6
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-iodobenzoyl)-5-(7-tridecyl)dipyrromethane 在 甲醇 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 生成 {5-[2-Hexyl-1-(1H-pyrrol-2-yl)-octyl]-1H-pyrrol-2-yl}-(4-iodo-phenyl)-methanol
  参考文献：
  名称：

  Synthesis of Swallowtail-Substituted Multiporphyrin Rods

  摘要：

  The availability of multiporphyrin arrays with defined architectures and good solubility in organic solvents is essential for a wide variety of physical studies. Herein the synthesis of linear multiporphyrin arrays (triads, tetrad, pentad) bearing solubilizing 7-tridecyl (swallowtail) groups is presented. The rodlike arrays are composed of zinc porphyrins at the termini and 1, 2, or 3 free base porphyrins at the core. The free base porphyrins in the tetrad and pentad are joined to each other via p-phenylene linkers whereas the zinc porphyrins in each array are attached to the core free base porphyrins via 1,4-diphenylethyne linkers. The arrays are designed for studies of interporphyrin electronic communication.

  DOI：

  10.1021/jo049348t
• 作为产物：
  描述：

  S-(2-pyridyl) 4-iodothiobenzoate 、 5-(tridec-7-yl)dipyrromethane 在 乙基溴化镁 作用下， 以 四氢呋喃 为溶剂， 反应 0.84h， 以64%的产率得到1-(4-iodobenzoyl)-5-(7-tridecyl)dipyrromethane
  参考文献：
  名称：

  Synthesis of Swallowtail-Substituted Multiporphyrin Rods

  摘要：

  The availability of multiporphyrin arrays with defined architectures and good solubility in organic solvents is essential for a wide variety of physical studies. Herein the synthesis of linear multiporphyrin arrays (triads, tetrad, pentad) bearing solubilizing 7-tridecyl (swallowtail) groups is presented. The rodlike arrays are composed of zinc porphyrins at the termini and 1, 2, or 3 free base porphyrins at the core. The free base porphyrins in the tetrad and pentad are joined to each other via p-phenylene linkers whereas the zinc porphyrins in each array are attached to the core free base porphyrins via 1,4-diphenylethyne linkers. The arrays are designed for studies of interporphyrin electronic communication.

  DOI：

  10.1021/jo049348t