[(2,6-(2-(i)Pr-6-MeC6H3N=CMe)2C5H3N)Fe(N2)]2(μ2-N2) | 1214787-01-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [(2,6-(2-(i)Pr-6-MeC6H3N=CMe)2C5H3N)Fe(N2)]2(μ2-N2)
• CAS: 1214787-01-5
• 化学式: C₅₈H₇₀Fe₂N₁₂
• 分子量: 1046.97
• InChiKey: LALDYCDOHAQQHI-NWMKJIJLSA-N

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：

  一氧化碳 、 [(2,6-(2-(i)Pr-6-MeC6H3N=CMe)2C5H3N)Fe(N2)]2(μ2-N2) 以 乙醚 为溶剂， 以41%的产率得到(2,6-(2-(i)Pr-6-MeC6H3N=CMe)2C5H3N)Fe(CO)2
  参考文献：
  名称：

  Synthesis of Aryl-Substituted Bis(imino)pyridine Iron Dinitrogen Complexes

  摘要：

  The synthesis and characterization of dimeric, aryl-substituted bis(imino)pyridine iron dinitrogen complexes is described. In contrast to reduction with sodium amalgam where bis(chelate) iron compounds were isolated, stirring ((PDI)-P-Ar)FeBr2 or ((BPDI)-B-Me)FeBr2 (PDI = 2,6-(ArN=CMe)(2)C5H3N; Ar = 2,6-Et-2-C6H3N ((PDI)-P-Et), 2,6-Me-2-C6H3N ((PDI)-P-Me), 2-Pr-i,6-Me-C6H3N (Me,(PDI)-P-iPr); (BPDI)-B-Me = 2,6-(2,6-Me-2-C6H3N=CPh)(2)C5H3N) with sodium naphthalenide resulted in isolation of the desired iron dinitrogen compounds as diamagnetic solids, Two examples, [((PDI)-P-Et)Fe(N-2)](2)(mu(2)-N-2) and [((BPDI)-B-Me)Fe(N-2)](2)(mu(2)-N-2), were characterized by X-ray diffraction. The solid state metrical parameters, in combination with infrared and Mossbauer spectroscopic data, establish ferrous compounds with doubly reduced chelates. Each new bis(imino)pyridine iron dinitrogen compound was screened for the catalytic hydrogenation of ethyl-3-methylbut-2-enoate, and the compound bearing the smallest aryl substituent, [((PDI)-P-Me)Fe(N-2)](2)(mu(2)-N-2), offers significant improvement over the original ((PDI)-P-iPr)Fe(N-2)(2) pre-catalyst and is one of the most active iron pre-catalysts known.

  DOI：

  10.1021/ic902162z
• 作为产物：
  描述：

  (2,6-(2-(i)Pr-6-MeC6H3N=CMe)2C5H3N)FeBr2 、 氮 在 sodium amalgam 作用下， 以 甲苯 为溶剂， 以43%的产率得到[(2,6-(2-(i)Pr-6-MeC6H3N=CMe)2C5H3N)Fe(N2)]2(μ2-N2)
  参考文献：
  名称：

  Synthesis of Aryl-Substituted Bis(imino)pyridine Iron Dinitrogen Complexes

  摘要：

  The synthesis and characterization of dimeric, aryl-substituted bis(imino)pyridine iron dinitrogen complexes is described. In contrast to reduction with sodium amalgam where bis(chelate) iron compounds were isolated, stirring ((PDI)-P-Ar)FeBr2 or ((BPDI)-B-Me)FeBr2 (PDI = 2,6-(ArN=CMe)(2)C5H3N; Ar = 2,6-Et-2-C6H3N ((PDI)-P-Et), 2,6-Me-2-C6H3N ((PDI)-P-Me), 2-Pr-i,6-Me-C6H3N (Me,(PDI)-P-iPr); (BPDI)-B-Me = 2,6-(2,6-Me-2-C6H3N=CPh)(2)C5H3N) with sodium naphthalenide resulted in isolation of the desired iron dinitrogen compounds as diamagnetic solids, Two examples, [((PDI)-P-Et)Fe(N-2)](2)(mu(2)-N-2) and [((BPDI)-B-Me)Fe(N-2)](2)(mu(2)-N-2), were characterized by X-ray diffraction. The solid state metrical parameters, in combination with infrared and Mossbauer spectroscopic data, establish ferrous compounds with doubly reduced chelates. Each new bis(imino)pyridine iron dinitrogen compound was screened for the catalytic hydrogenation of ethyl-3-methylbut-2-enoate, and the compound bearing the smallest aryl substituent, [((PDI)-P-Me)Fe(N-2)](2)(mu(2)-N-2), offers significant improvement over the original ((PDI)-P-iPr)Fe(N-2)(2) pre-catalyst and is one of the most active iron pre-catalysts known.

  DOI：

  10.1021/ic902162z