| 152599-69-4

• 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
• CAS: 152599-69-4
• 化学式: C₃₆H₄₃BrFeN₄O
• 分子量: 683.515
• InChiKey: ZKDOURZBJQZNOX-SIELVTEWSA-M

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

• 作为反应物：
  描述：

  、 bis(triphenylphosphine)iminium cyanide 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Coupled Oxidation of Heme without Pyridine. Formation of Cyano Complexes of Iron Oxophlorin and 5-Oxaporphyrin (Verdoheme) from Octaethylheme

  摘要：

  Oxidative degradation of iron porphyrins under coupled oxidation conditions, which generally has involved pyridine as solvent and source of axial Ligands, results in the production of verdoheme, the iron complex of 5-oxaporphyrin in which an oxygen atom replaces a methine,group. Under pyridine-free conditions, ClFeIII(OEP) (OEP is the dianion of octaethylporphyrin) and {Fe-III(OEPO)}(2) (OEPO is the trianion of octaethyloxophlorin) have been converted into the 5-oxaporphyrin complex (verdoheme) {(NC)(2)Fe-III(OEOP)} (OEOP is the anion of octaethyl-5-oxaporphyrin). Additionally, through control of;the cyanide ion concentration, the:oxidation of ClFeIII(OEP) can be stopped to produce {Fe-III(OEPO)}2 or allowed to proceed to give {(NC)(2)Fe-III(OEOP)}. A convenient method for the preparation of {Fe-III(OEPO)}(2), and from it the free base H2OEPOH, is reported. Anionic complexes, [(NC)(py)Fe(OEPO)](-) and [(NC)(2)Fe(OEPO)](2-), related to these oxidative degradation processes have been obtained through the addition of bis(triphenylphosphine)iminium cyanide to (py)(2)Fe(OEPO) in pyridine solution or through cleavage of {Fe-III(OEPO)}(2) with potassium cyanide in methanol or with tetra(n-butyl)ammonium cyanide in chloroform solution. The products have been characterized principally through their characteristic H-1 NMR spectra, which show sizable hyperfine shifts with meso resonances upfield and methylene resonances with both up-and downfield shifts. in the presence of air, [(NC)(2)Fe(OEPO)](2-) undergoes oxidation to form the 5-oxaporphyrin complex (verdoheme) {(NC)(2)Fe-III(OEOP)}. Treatment of BrFeIII(OEPO .) with CN- produces [(NC)(2)Fe(OEPO)](-), which can also be obtained through oxidation of [(NC)(2)Fe(OEPO)](2-) with diiodine.

  DOI：

  10.1021/ic970503e
• 作为产物：
  描述：

  {Fe(octaethyloxophlorinate)}2 在 Br₂ 作用下， 以 氯仿 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  铁氧磷的化学。2. 氧化铁 (III) 八乙基氧代绿素二聚体和逐步观察氧代绿素大环的双电子氧化

  摘要：

  已经研究了铁氧代叶绿素（内消旋羟基卟啉）复合物的氧化，以了解可能有助于血红素加氧酶催化的血红素破坏的基本化学反应。铁 (III) 八乙基氧代血红素二聚体 [Fe III (OEPO)] 2 与分子溴的反应导致形成两种新的高度氧化的配合物，BrFe III (OEPO . ) 和 Br 2 Fe III (OEPOx)（其中 OEPO .和 OEPOx 分别是八乙基氧杂绿素二阴离子自由基和氧化的八乙基氧杂绿素单阴离子​​），其中实验数据表明，氧化的是配体而不是铁

  DOI：

  10.1021/ja00078a024

文献信息

• Balch, Alan L.; Latos-Grazyński, Lechosław; St. Claire, Tamara N., Inorganic Chemistry, 1995, vol. 34, # 6, p. 1395 - 1401
  作者：Balch, Alan L.、Latos-Grazyński, Lechosław、St. Claire, Tamara N.

  DOI：——

  日期：——