5-butyl-15-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-10,20-bis(4-methylphenyl)porphyrin | 1063613-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 5-butyl-15-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-10,20-bis(4-methylphenyl)porphyrin
• CAS: 1063613-13-7
• 化学式: C₄₄H₄₅BN₄O₂
• 分子量: 672.678
• InChiKey: CSYQXVGOHOYWPH-NZLZMQPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.25
• 重原子数：
  51.0
• 可旋转键数：
  6.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  75.82
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-butyl-15-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-10,20-bis(4-methylphenyl)porphyrin 在 zinc diacetate 作用下， 以390.4 mg的产率得到[5-butyl-15-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-10,20-bis(4-methylphenyl)porphyrinato]zinc(II)
  参考文献：
  名称：

  Synthesis and ligand binding properties of triptycene-linked porphyrin arrays

  摘要：

  Multiporphyrin arrays are a complex class of molecules with numerous potential applications in energy transfer, photomedicine, and light harvesting. We have developed a facile/versatile route to a class of triptycene-linked porphyrin arrays via both Suzuki and Sonogashira cross-coupling methods, which makes use of the rigid three-pronged orientation of triptycene to construct trimeric porphyrin arrays linked either in the meso or beta-position with various linker groups. In order to understand the properties of these potential antenna systems and probe their potential applications, the coordination behavior of zinc(11) derivatives with mono- and bidentate N-donor ligands was investigated. Depending on ligand concentration, both one- and two-point binding was observed with a bidentate ligand. Also/in addition, different cavity sizes, obtained by the use of different linker groups, resulted in differences in the binding properties of each trimeric system. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.025
• 作为产物：
  描述：

  在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 5-butyl-15-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-10,20-bis(4-methylphenyl)porphyrin
  参考文献：
  名称：

  Synthesis and ligand binding properties of triptycene-linked porphyrin arrays

  摘要：

  Multiporphyrin arrays are a complex class of molecules with numerous potential applications in energy transfer, photomedicine, and light harvesting. We have developed a facile/versatile route to a class of triptycene-linked porphyrin arrays via both Suzuki and Sonogashira cross-coupling methods, which makes use of the rigid three-pronged orientation of triptycene to construct trimeric porphyrin arrays linked either in the meso or beta-position with various linker groups. In order to understand the properties of these potential antenna systems and probe their potential applications, the coordination behavior of zinc(11) derivatives with mono- and bidentate N-donor ligands was investigated. Depending on ligand concentration, both one- and two-point binding was observed with a bidentate ligand. Also/in addition, different cavity sizes, obtained by the use of different linker groups, resulted in differences in the binding properties of each trimeric system. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.025