protoporphyrin IX iron(II)(piperidine)2 | 17845-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: protoporphyrin IX iron(II)(piperidine)2
• CAS: 17845-66-8
• 化学式: C₄₄H₅₄FeN₆O₄
• 分子量: 786.798
• InChiKey: KDJAFQMBSMVTRG-UHEVNVKKSA-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

• 作为反应物：
  描述：

  protoporphyrin IX iron(II)(piperidine)2 、 一氧化碳 以 甲苯 为溶剂， 生成 (carbonyl)(piperidine)iron(II) protoporphyrin IX
  参考文献：
  名称：

  卟啉铁与一氧化碳之间的反应。肌红蛋白的动力学模型

  摘要：

  一氧化碳与（哌啶）2 Fe（卟啉）配合物之间反应生成（哌啶）Fe（CO）（卟啉）的动力学研究表明，该机理涉及到五配位（哌啶）Fe（卟啉）的预离解。复杂的; 原卟啉IX系统的数据表明该模型的动力学性质可能与脱氧-肌红蛋白和-血红蛋白中的活性铁位点非常相似。

  DOI：

  10.1039/c39730000325
• 作为产物：
  描述：

  哌啶 、 heme b 以 水 为溶剂， 生成 protoporphyrin IX iron(II)(piperidine)2
  参考文献：
  名称：

  Studies on the binding of nitrogenous bases to protoporphyrin IX iron(II) in aqueous solution at high pH values part II. Aliphatic nitrogen ligands

  摘要：

  The first complimentary studies using Mossbauer spectroscopy and ligand titrations on protoporphyrin IX iron(II) with a series of aliphatic nitrogenous ligands are reported. Binding constants have been determined by titration of the metal complex with these ligands. The adduct formation was monitored through optical spectroscopy. Parallel Mossbauer spectroscopic experiments were conducted to monitor the electronic environment around the central iron atom in these adducts. Both spectroscopic methods indicated that all the aliphatic nitrogen bases yielded low spin octahedral complexes. The magnitude of the overall binding constants (log beta-2 value which varied from 1.7 for ethanolamine to 4.26 for n-octylamine) are discussed and related to (i) the pK(a) values of the free ligands and (ii) to the quadrupole splitting, DELTA-E(Q), of the haem iron. The aliphatic nitrogenous ligands studied here exhibited cooperative binding (except ethanolamine) with Hill coefficients close to 2 for protoporphyrin IX iron(II), but with significantly lower (approximately 1000-fold) affinity than pyridine and imidazole ligands (which we have studied previously). However, these aliphatic and aromatic ligands displayed comparable DELTA-E(Q) values (approximately 1.00 to 1.20 mm s-1). The beta-2 and DELTA-E(Q) values are also discussed in terms of the structure of the ligand.

  DOI：

  10.1016/s0020-1693(00)82993-x

文献信息

• Reversible binding of nitric oxide and carbon monoxide to iron porphyrins. Assessment of the role of the protein in hemoglobin
  作者：Dennis V. Stynes、H. Cleary. Stynes、Brian R. James、James A. Ibers

  DOI：10.1021/ja00793a065

  日期：1973.6
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Fe: Org.Verb.B1, 1.1.4.1.6.4.1, page 65 - 76
  作者：

  DOI：——

  日期：——