| 187028-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 187028-40-6
• 化学式: C₃₇H₂₁FeN₉O
• 分子量: 663.48
• InChiKey: OUCAPBLNWXSHDA-UHFFFAOYSA-N

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：

  以 吡啶 为溶剂， 生成 bis(pyridine)phthalocyanatoiron(II) 、
  参考文献：
  名称：

  Reaction of μ-oxobis(phthalocyaninatoiron(III)) in pyridine/water. Evidence for a slow reacting oxophthalocyaninatoiron(IV) compound

  摘要：

  The reaction of mu-oxobis(phthalocyaninatoiron(III)) in pyridine containing small amounts of water has been investigated. The reaction occurs in two consecutive steps. The first step is a disproportionation equilibrium (K = 1.0X10(-3) mol dm(-3) at 35 degrees C) yielding [(py)(2)Fe(II)(pc)] and the ferryl compound [(py)Fe(IV)(pc)O]. The spectrum of the latter in the 600-700 nm range shows the shape characteristic of phthalocyaninato derivatives with a high intensity Q band (epsilon = 7.5 X 10(4)) at 670 nm. During the succeeding step, that requires several hours to be completed, the Fe=O oxygen is transferred to peripheral sites of the macrocycle, very likely to form C-OH groups. This fact does not modify appreciably the electronic properties of the complex, if compared to those of [(py)(2)Fe(pc)], and can be revealed only by FAB experiments which show the presence of phthalocyaninato derivatives of mass 568 + 16 and 568 + 32 (568 being the mass of the molecular ion [Fe(pc)(+)]. The first step of this reaction represents a convenient method for preparing pyridine solutions of the ferrylic species, suitable for reactivity studies.

  DOI：

  10.1016/s0020-1693(96)05174-2

文献信息

• Reactivity of chloro(phthalocyaninato)iron(<scp>III</scp>) in pyridine–water
  作者：Fabrizio Monacelli

  DOI：10.1039/dt9910003373

  日期：——

  the second is kinetically independent of water and does not involve ionic species. The complex [Fe(pc)(py)2] is formed during both steps and about 70–80% of the initial iron(III) is finally recovered in this form. The infinite-time conductance is quantitatively explained in terms of 100% formation of py·HCI. Addition of PPh3 has a remarkable effect: when added to py before[Fe(pc)Cl] the second step tends

  [Fe（PC）Cl]（PC =酞菁）在含水吡啶（py）中的反应已通过分光光度法和电导技术进行了跟踪。这是一个两步过程：第一步是[H 2 O]的一级反应，伴随电导的增加，第二步在动力学上与水无关，并且不涉及离子物质。在两个步骤中都形成了复合物[Fe（PC）（py）2 ]，最终以这种形式回收了约70-80％的初始铁（III）。无限时电导以py·HCl的100％形成来定量解释。PPh 3的添加具有显着效果：在[Fe（PC）Cl]之前添加到py中时，第二步随着PPh的浓度趋于消失3增加，对于[PPh 3 ]4×10 –3 mol dm –3，整个反应呈现为一步法；如果膦加入后的第一步和之前所述第二两个连续的反应发生，PPH的第一动力学膦依赖性，第二独立3。当配合物与稍微过量的PPh 3反应时，实际上发生了定量氧化为OPPh 3的反应。观察结果在快速Cl换算解释-从的[Fe（PC）氯（PY）]，得到的[Fe（PC）（PY）释放2