| 521057-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 521057-95-4
• 化学式: C₃₆H₄₃FeN₅O₂
• 分子量: 633.617
• InChiKey: UKQZJMSOROLYMC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (pyridine)2Fe(meso-amino-octaethylporphyrinate) 在 air 作用下， 以 吡啶 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Heme Cleavage with Remarkable Ease:  Paramagnetic Intermediates Formed by Aerobic Oxidation of a Meso-Amino-Substituted Iron Porphyrin

  摘要：

  Hemes must be oxidatively stable to carry out their functions as biological oxidants, but introduction of a single amino group at a meso position of octaethylheme renders it extremely sensitive to ring opening by dioxygen. Exposure of a red pyridine (py) solution of diamagnetic (py)(2)Fe(II)(H(2)N-OEP) (1) (H(2)N-OEP is the dianion of meso-amino-octaethylporphyrin) to air results in the immediate formation of a green intermediate which is subsequently converted into a second species that has been crystallized and characterized by X-ray diffraction. This process is distinct from coupled oxidation, a model for biological heme cleavage, because it does not require a sacrificial reducing agent to initiate the process.

  DOI：

  10.1021/ja021253q

文献信息

• Facile Ring Opening of Iron(III) and Iron(II) Complexes of <i>m</i><i>eso</i>-Amino-octaethylporphyrin by Dioxygen
  作者：Sankar Prasad Rath、Heather Kalish、Lechosław Latos-Grażyński、Marilyn M. Olmstead、Alan L. Balch

  DOI：10.1021/ja0384431

  日期：2004.1.1

  equilibrium exists between the high-spin (S = 5/2), six-coordinate complex, [(py)ClFe(III)(meso-NH(2)-OEP)], and the six-coordinate, low spin (S = 1/2 with the less common (d(xz)d(yz))(4)(d(xy))(1) ground state)) complex, [(py)(2)Fe(III)(meso-NH(2)-OEP)](+). Such pyridine solutions are air-sensitive, and the remarkable degradation has been monitored by (1)H NMR spectroscopy. These studies reveal a

  ClFe(III)(meso-NH(2)-OEP) 的吡啶溶液在暴露于分子氧时会发生氧化开环。高自旋铁 (III) 复合物 ClFe(III)(meso-NH(2)-OEP) 已被分离并通过 X 射线晶体学表征。在固态下，它具有典型的高自旋 (S = 5/2) 铁 (III) 配合物的五配位结构。在氯仿-d 溶液中，ClFe(III)(meso-NH(2)-OEP) 显示 (1) H NMR 光谱特征的高自旋，五坐标复合物，对双氧无反应。然而，在吡啶-d(5) 溶液中，在高自旋 (S = 5/2)、六配位络合物 [(py)ClFe(III)(meso-NH(2)- OEP)]，以及六坐标低自旋（S = 1/2 与较不常见的 (d(xz)d(yz))(4)(d(xy))(1) 基态））复合物， [(py)(2)Fe(III)(meso-NH(2)-OEP)](+)。这种吡啶溶液对空气很敏感，并且已经通过