meso-(2,6-di(n-butoxy)phenyl)dipyrromethane | 1006709-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: meso-(2,6-di(n-butoxy)phenyl)dipyrromethane
• CAS: 1006709-61-0
• 化学式: C₂₃H₃₀N₂O₂
• 分子量: 366.503
• InChiKey: LWWUFVIMORVSRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  27.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  50.04
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-吡啶甲醛 、 meso-(2,6-di(n-butoxy)phenyl)dipyrromethane 在 丙酸 作用下， 生成
  参考文献：
  名称：

  Effect of secondary substituent on the physical properties, crystal structures, and nanoparticle morphologies of (porphyrin)Sn(OH)2: diversity enabled via synthetic manipulations

  摘要：

  卟啉的高效合成有助于系统地研究二级取代基对两亲（卟啉）Sn(OH)2 的物理性质、晶体结构和纳米粒子形态的影响。

  DOI：

  10.1039/b804629h

文献信息

• Coordinative Self-Assembly and Solution-Phase X-ray Structural Characterization of Cavity-Tailored Porphyrin Boxes
  作者：Suk Joong Lee、Karen L. Mulfort、Xiaobing Zuo、Andrew J. Goshe、Paul J. Wesson、SonBinh T. Nguyen、Joseph T. Hupp、David M. Tiede

  DOI：10.1021/ja077661h

  日期：2008.1.1

  Combining linear Zn porphyrin trimers with orthogonally derivatized porphyrin dimers leads rapidly and spontaneously to the formation of monodisperse, torsionally constrained boxes comprising six components and a total of 16 metalloporphyrins. In situ X-ray scattering measurements confirm the formation of monodisperse assemblies of precisely the size expected from model box structures. While simple subunits yield highly symmetrical boxes, we find that sterically demanding subunits produce unusual twisted boxes. Previous studies of porphyrin-based box-like assemblies (squares) for selective catalysis and molecular sieving revealed two function-inhibiting structural problems: torsional motion along the metal-porphyrin-metal axis and ambiguous outside versus inside functionalizalion (via axial ligation of available Zn(II) sites). The new 16-porphyrin box assemblies eliminate both problems.