{5-[(5-Pentafluorobenzoyl-1H-pyrrol-3-yl)-pentafluorophenyl-methyl]-1H-pyrrol-2-yl}-pentafluorophenyl-methanone | 522614-66-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: {5-[(5-Pentafluorobenzoyl-1H-pyrrol-3-yl)-pentafluorophenyl-methyl]-1H-pyrrol-2-yl}-pentafluorophenyl-methanone
• 英文别名: [5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-3-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
• CAS: 522614-66-0
• 化学式: C₂₉H₇F₁₅N₂O₂
• 分子量: 700.363
• InChiKey: VEGWUNPGNDHBQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  48
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  65.7
• 氢给体数：
  2
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  {5-[(5-Pentafluorobenzoyl-1H-pyrrol-3-yl)-pentafluorophenyl-methyl]-1H-pyrrol-2-yl}-pentafluorophenyl-methanone 在 sodium tetrahydroborate 、 copper diacetate 、 甲烷磺酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 11.75h， 生成 Cu(II) complex of 5,10,15,20-tetrakis(pentafluorophenyl)-2-aza-21-carbaporphyrin
  参考文献：
  名称：

  N-Confused Porphyrin-Bearing meso-Perfluorophenyl Groups:  A Potential Agent That Forms Stable Square-Planar Complexes with Cu(II) and Ag(III)

  摘要：

  N-Confused porphyrin (NCP) bearing pentafluorophenyl groups at meso-positions, which were obtained from N-confused dipyrromethane in ca. 20% yield, can form Cu(II) complex as well as Ag(III), Ni(II), and Pd(II) complexes. The square-planar structures of all these metal complexes were elucidated by X-ray single-crystal analyses.

  DOI：

  10.1021/ol034227l
• 作为产物：
  描述：

  五氟苯甲酰氯 、 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-3-yl)methyl]-1H-pyrrole 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 38.25h， 以12%的产率得到Pentafluorophenyl-{5-[pentafluorophenyl-(1H-pyrrol-3-yl)-methyl]-1H-pyrrol-2-yl}-methanone
  参考文献：
  名称：

  混乱和新混乱：具有NNNC核心的Corrole异构体

  摘要：

  比以往任何时候都更加困惑：合成了三种类型的N-混淆的腐蚀异构体（NCC），并通过单晶X射线晶体学揭示了这些异构体的结构。NCC中吡咯环的位置对光学和阴离子结合特性有显着影响。

  DOI：

  10.1002/anie.201100429

文献信息

• N-Confused Porphyrin-Bearing <i>m</i><i>eso</i>-Perfluorophenyl Groups:  A Potential Agent That Forms Stable Square-Planar Complexes with Cu(II) and Ag(III)
  作者：Hiromitsu Maeda、Atsuhiro Osuka、Yuichi Ishikawa、Isao Aritome、Yoshio Hisaeda、Hiroyuki Furuta

  DOI：10.1021/ol034227l

  日期：2003.4.1

  N-Confused porphyrin (NCP) bearing pentafluorophenyl groups at meso-positions, which were obtained from N-confused dipyrromethane in ca. 20% yield, can form Cu(II) complex as well as Ag(III), Ni(II), and Pd(II) complexes. The square-planar structures of all these metal complexes were elucidated by X-ray single-crystal analyses.
• Confusion and Neo-Confusion: Corrole Isomers with an NNNC Core
  作者：Keitaro Fujino、Yasuyuki Hirata、Yasunori Kawabe、Tatsuki Morimoto、Alagar Srinivasan、Motoki Toganoh、Yugo Miseki、Akihiko Kudo、Hiroyuki Furuta

  DOI：10.1002/anie.201100429

  日期：2011.7.18

  More confused than ever: Three types of N‐confused corrole isomers (NCCs) were synthesized, and the structures of these isomers were revealed by single‐crystal X‐ray crystallography. The position of the confused pyrrole ring in the NCC has a pronounced effect on optical and anion‐binding properties.

  比以往任何时候都更加困惑：合成了三种类型的N-混淆的腐蚀异构体（NCC），并通过单晶X射线晶体学揭示了这些异构体的结构。NCC中吡咯环的位置对光学和阴离子结合特性有显着影响。