(2,6-(2,6-(i)Pr2C6H3N=CPh)2C5H3N)Fe(ethyl 3,3-dimethylacrylate) | 1214787-09-3

• 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: (2,6-(2,6-(i)Pr2C6H3N=CPh)2C5H3N)Fe(ethyl 3,3-dimethylacrylate)
• CAS: 1214787-09-3
• 化学式: C₅₀H₅₉FeN₃O₂
• 分子量: 789.884
• InChiKey: XPMJSVPNHRJOQD-GYFGJMPFSA-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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  3-甲基-2-丁烯酸乙酯 、 (2,6-(2,6-iPr2-C6H3-N=CPh)2C5H3N)Fe(N2)2 以 乙醚 为溶剂， 以88%的产率得到(2,6-(2,6-(i)Pr2C6H3N=CPh)2C5H3N)Fe(ethyl 3,3-dimethylacrylate)
  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