[((.mu-SCH2)2NCH2(2-C5H4N))Fe2(CO)6 | 940931-35-1

• 英文名称: [((.mu-SCH2)2NCH2(2-C5H4N))Fe2(CO)6
• CAS: 940931-35-1
• 化学式: C₁₄H₁₀Fe₂N₂O₆S₂
• 分子量: 478.069
• InChiKey: ZOZGDUQUJSRVHJ-UHFFFAOYSA-L

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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  N-甲基咪唑 、 [((.mu-SCH2)2NCH2(2-C5H4N))Fe2(CO)6 、 碘甲烷 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到[((μ-SCH2)2NCH2(2-C5H4N))Fe2(CO)4(LMe)2
  参考文献：
  名称：

  Preparation, characteristics and crystal structures of novel N-heterocyclic carbene substituted furan- and pyridine-containing azadithiolate Fe–S complexes

  摘要：

  Two novel N-heterocyclic carbene disubstituted furan- and pyridine-containing azadithiolate Fe-only hydrogenase models (2 and 4) have been synthesized, and characterized by IR and H-1 NMR spectra and X-ray single crystal diffraction. Cyclic voltammetry (CV) experiments indicate that they show more negative reductive potentials at -2.53 V and -2.49 V, respectively versus the ferrocene/ferrocenium couple (Fc/Fc(+)) and are easier to capture proton attributing to the strong electron-donating ligand NHC. After the protonation under F3CCO2H the reductive potentials of 2 and 4 have 1.02 V and 0.77 V shifts, indicating the formation of Fe-H-Fe bond. The results also are confirmed by the data changes in IR spectra and the negative H signals are detected by 1H NMR spectra at -27 ppm and -55 ppm. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.11.033
• 作为产物：
  描述：

  2-氨甲基吡啶 、 聚合甲醛 、 Fe2(μ-S)2(CO)6 在 水 、 三乙基硼氢化锂 作用下， 以 四氢呋喃 为溶剂， 以45%的产率得到[((.mu-SCH2)2NCH2(2-C5H4N))Fe2(CO)6
  参考文献：
  名称：

  Preparation, characteristics and crystal structures of novel N-heterocyclic carbene substituted furan- and pyridine-containing azadithiolate Fe–S complexes

  摘要：

  Two novel N-heterocyclic carbene disubstituted furan- and pyridine-containing azadithiolate Fe-only hydrogenase models (2 and 4) have been synthesized, and characterized by IR and H-1 NMR spectra and X-ray single crystal diffraction. Cyclic voltammetry (CV) experiments indicate that they show more negative reductive potentials at -2.53 V and -2.49 V, respectively versus the ferrocene/ferrocenium couple (Fc/Fc(+)) and are easier to capture proton attributing to the strong electron-donating ligand NHC. After the protonation under F3CCO2H the reductive potentials of 2 and 4 have 1.02 V and 0.77 V shifts, indicating the formation of Fe-H-Fe bond. The results also are confirmed by the data changes in IR spectra and the negative H signals are detected by 1H NMR spectra at -27 ppm and -55 ppm. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.11.033