[(CH(C(^tBu)NC₆H₃ⁱPr₂)₂)Fe(phenyl thiolate)(1-methylimidazole)] | 1160706-63-7

• 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
• 英文名称: [(CH(C(^tBu)NC₆H₃ⁱPr₂)₂)Fe(phenyl thiolate)(1-methylimidazole)]
• 英文别名: (CH(C(t-Bu)NC6H3(i-Pr)2)2)Fe(SPh)(1-methylimidazole)
• CAS: 1160706-63-7
• 化学式: C₄₅H₆₄FeN₄S
• 分子量: 748.943
• InChiKey: SPRPLEKESCCZQT-HHHMVCBXSA-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

• 作为产物：
  描述：

  (2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)hept-4-yl)iron(II) chloride 在 NaH 作用下， 以 乙醚 、 甲苯 为溶剂， 生成 [(CH(C(^tBu)NC₆H₃ⁱPr₂)₂)Fe(phenyl thiolate)(1-methylimidazole)]
  参考文献：
  名称：

  Ligand Dependence of Binding to Three-Coordinate Fe(II) Complexes

  摘要：

  A series of three- and four-coordinate iron(II) complexes with nitrogen, chlorine, oxygen, and sulfur ligands is presented. The electronic variation is explored by measuring the association constant of the neutral ligands and the reduction potential of the iron(II) complexes. Varying the neutral ligand gives large changes in K-eq, which decrease in the order (CNBu)-Bu-t > pyridine > 2-picoline > DMF > MeCN > THF > PPh3. These differences can be attributed to a mixture of steric effects and electronic effects (both sigma-donation and pi-backbonding). The binding constants and the reduction potentials are surprisingly insensitive to changes in an anionic spectator ligand. This suggests that three-coordinate iron(II) complexes may have similar binding trends as proposed three-coordinate iron(II) intermediates in the FeMoco of nitrogenase, even though the anionic spectator ligands in the synthetic complexes differ from the sulfides in the FeMoco.

  DOI：

  10.1021/ic802440h