[PhB(CH2P(CH2Cy)2)3]Fe(PMe3) | 924282-80-4

• 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: [PhB(CH2P(CH2Cy)2)3]Fe(PMe3)
• CAS: 924282-80-4
• 化学式: C₅₄H₉₈BFeP₄
• 分子量: 937.925
• InChiKey: ZBDCGGUUPPGXAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.24
• 重原子数：
  60.0
• 可旋转键数：
  14.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [PhB(CH2P(CH2Cy)2)3]Fe(PMe3) 、 二氧化碳 以 not given 为溶剂， 生成 {[PhBP₃^CH2Cy]Fe}₂(μ-O)(μ-CO)
  参考文献：
  名称：

  Fe(I)-Mediated Reductive Cleavage and Coupling of CO₂:  An Fe^II(μ-O,μ-CO)Fe^II Core

  摘要：

  THF solutions of a new iron(I) source, “[PhBPCH2Cy3]Fe” ([PhBPCH2Cy3] = [PhBP(CH2P(CH2Cy)2)3]−), effect the reductive cleavage of CO2 via O-atom transfer at ambient temperature. The dominant reaction pathway is bimetallic and leads to the formation of a structurally unprecedented diiron FeII(μ-O)(μ-CO)FeII core. X-ray data are also available to suggest that bimetallic reductive CO2 coupling to generate oxalate occurs as a minor reaction pathway. These initial observations forecast a diverse reaction landscape between CO2 and iron (I) synthons.

  DOI：

  10.1021/ja065524z
• 作为产物：
  描述：

  [PhB(CH2P(CH2Cy)2)3]Fe 、 三甲基膦 以 四氢呋喃 为溶剂， 以99%的产率得到[PhB(CH2P(CH2Cy)2)3]Fe(PMe3)
  参考文献：
  名称：

  Fe(I)-Mediated Reductive Cleavage and Coupling of CO₂:  An Fe^II(μ-O,μ-CO)Fe^II Core

  摘要：

  THF solutions of a new iron(I) source, “[PhBPCH2Cy3]Fe” ([PhBPCH2Cy3] = [PhBP(CH2P(CH2Cy)2)3]−), effect the reductive cleavage of CO2 via O-atom transfer at ambient temperature. The dominant reaction pathway is bimetallic and leads to the formation of a structurally unprecedented diiron FeII(μ-O)(μ-CO)FeII core. X-ray data are also available to suggest that bimetallic reductive CO2 coupling to generate oxalate occurs as a minor reaction pathway. These initial observations forecast a diverse reaction landscape between CO2 and iron (I) synthons.

  DOI：

  10.1021/ja065524z