{nn(PM)2}FeN3 | 1598414-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: {nn(PM)2}FeN3
• 英文别名: {nn(PM)₂}FeN₃
• CAS: 1598414-83-5
• 化学式: C₁₇H₁₉FeN₇
• 分子量: 377.232
• InChiKey: UMXUXFSYHMMDTJ-NYEWISTHSA-N

计算性质

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

• 作为产物：
  描述：

  {nn(PM)2}FeCl 、 sodium azide 以 四氢呋喃 为溶剂， 反应 96.0h， 以53%的产率得到{nn(PM)2}FeN3
  参考文献：
  名称：

  Iron Complexes Derived from {nacnac-(CH₂py)₂}⁻ and {nacnac-(CH₂py)(CHpy)}ⁿ Ligands: Stabilization of Iron(II) via Redox Noninnocence

  摘要：

  Nacnac-based tetradentate chelates, {nacnac-(CH(2)py)(2)} ({nn(PM)(2)}(-)) and {nacnac-(CH(2)py)(CHpy)}(n) ann(PM)(PI)}(n)) have been investigated in iron complexes. Treatment of Fe{N(TMS)(2)}(2)(THF) with {nn(PM)(2)}H afforded {nn(PM)(2)}FeN(TMS)(2) [1-N(TMS)(2)], which led to {nn(PM)(2)}FeCl (1-Cl) from HCl and to {nn(PM)(2)}FeN3 (1-N-3) upon salt metathesis. Dehydroamination of 1-N(TMS)(2) was induced by L (L = PMe3, CO) to afford {nn(PM)(PI)}Fe(PMe3)(2) [2-(PMe3)(2)] and {nn(PM)(PI)}FeCO (3-CO). Substitution of 2-(PMe3)(2) led to {nn(PM)(PI)}Fe(PMe3)CO [2-(PMe3)CO], and exposure to a vacuum provided {nn(PM)(PI)}Fe(PMe3) (3-PMe3). Metathesis routes to {nn(PM)(PI)}FeL2 (2-L-2; L = PMe3, PMe2Ph) and {nn(PM)(PI)}FeL (3-L; L = PMePh2, PPh3) from [inn(PM)(PI)}(2-)]Li-2 and FeBr2(THF)(2) in the presence of L proved feasible, and 1e(-) and 2e(-) oxidation of 2-(PMe3)(2) afforded 2(+)-(PMe3)(2) and 2(2+)-(PMe3)(2) salts. Mossbauer spectroscopy, structural studies, and calculational assessments revealed the dominance of iron(II) in both high-spin (1-X) and low-spin (2-L-2 and 3-L) environments, and the redox noninnocence (RNI) of {nn(PM)(PI)}(n) [2-L-2, 3-L, n = 2-; 2(+)-(PMe3)(2), n = 1; 2(2+)-(PMe3)(2), n = 0]. A discussion regarding the utility of RNI in chemical reactivity is proffered.

  DOI：

  10.1021/ic5001123