meso-tetraphenylporphyrinato(η1-nitrito)iron(III) | 935699-70-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: meso-tetraphenylporphyrinato(η1-nitrito)iron(III)
• 英文别名: (NO2)Fe(TPP)；(NO2)Fe(5,10,15,20-tetraphenyl-21H, 23H-porphine)；Fe(tpp)(η1-ONO)；Fe(meso-tetraphenylporphyrinato(2-))(η1-ONO)
• CAS: 935699-70-0
• 化学式: C₄₄H₂₈FeN₅O₂
• 分子量: 714.586
• InChiKey: WNRIETCABZNEQW-YKKPBKTHSA-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：

  meso-tetraphenylporphyrinato(η1-nitrito)iron(III) 以 neat (no solvent, solid phase) 为溶剂， 生成 (nitrosyl)(meso-tetraphenylporphyrinato)iron(II)
  参考文献：
  名称：

  升华固体中氮氧化物与五配位 FeIII(卟啉)亚硝基中间体 Fe(Por)(ONO)的反应

  摘要：

  详细的实验研究描述了几种氮氧化物与血红素/NxOy 系统的铁卟啉模型的反应。FTIR 和光学光谱以及同位素标记实验表明，少量的 NO2 与升华的铁 (II) 配合物 Fe(Por) 薄层发生反应（Por = 内消旋四苯基卟啉二价阴离子、TPP 或内消旋四对甲苯基卟啉二价阴离子 (TTP) 导致形成 5 配位亚硝基配合物 Fe(Por)(eta1-ONO) (1)，它们相当稳定，但在真空下分解非常缓慢，主要生成相应的亚硝酰基配合物 Fe(Por) （不）。1 与新的 NO2 增量的进一步反应导致形成硝基复合物 Fe(Por)(eta2-O2NO) (2)。NO 与 1 在低温下的相互作用涉及配体加成，得到亚硝基-亚硝酰基配合物 Fe(Por)(eta1-ONO)(NO) (3)；然而，它们在加热时异构化为硝基亚硝酰基类似物 Fe(Por)(eta1-NO2)(NO) (4)。用标记的氮氧化物

  DOI：

  10.1021/ja067245h
• 作为产物：
  描述：

  Fe(II)-meso-tetraphenylporphyrin 在 二氧化氮 作用下， 生成 meso-tetraphenylporphyrinato(η1-nitrito)iron(III)
  参考文献：
  名称：

  氮氧化物与血红素模型的反应：难以捉摸的五坐标FeIII（卟啉）亚硝基中间体的光谱表征。

  摘要：

  DOI：

  10.1002/anie.200502409

文献信息

• O Atom Transfer from Nitric Oxide Catalyzed by Fe(TPP)
  作者：Rong Lin、Patrick J. Farmer

  DOI：10.1021/ja993643r

  日期：2001.2.1

  The reaction of NO-Fe(TPP) with low pressures of NO gas proceeds through three distinct transformations, the first of which we suggest is the formation of an N-N-coupled, (NO)(2) adduct intermediate. The subsequent formation of NO(NO2)Fe(TPP), which under these conditions readily loses NO, suggests that it is formed by addition of free NO2 to the starting nitrosyl, A mechanism is proposed which implies that the addition of a competitive O atom acceptor would lead to catalytic production of N2O. In agreement with the proposed mechanism, the formation of N2O is decoupled from the formation of the nitrite by using PPh3 as the competitive acceptor. The mechanism of O atom transfer was examined by cross-labeling experiments, which show that both O atoms in the intermediate are equivalent, even under catalytic conditions. The formation of an intermediate was confirmed by IR spectroscopy of the heterogeneous reaction of an NO:Fe(TPP) film with gaseous NO, in which transient, isotope-sensitive nu (NO) bands are seen prior to NO(NO2)Fe(TPP) formation. Mixed N-14/N-15 label experiments demonstrate coupling between the two bound nitrosyls in the transient species.
• Reactivity of the Iron Porphyrin Fe(TPP)(NO) with Excess NO. Formation of Fe(TPP)(NO)(NO₂) Occurs via Reaction with Trace NO₂
  作者：Ivan M. Lorković、Peter C. Ford

  DOI：10.1021/ic9910413

  日期：2000.2.1

  Fe(TPP)(NO) (TPP = tetraphenylporphyrinato dianion) does not react observably with excess NO in organic solvents at ambient pressure and temperature; however, adventitious NO2 rapidly leads to the nitrosyl nitro product Fe(TPP)(NO)(NO2), which is labile toward loss of Nd.[GRAPHICS]