(N,N'-bis(2,6-dimethylphenyl)ethylenediimine)(eta.(6)-toluene)Fe | 202146-40-5

• 英文名称: (N,N'-bis(2,6-dimethylphenyl)ethylenediimine)(eta.(6)-toluene)Fe
• CAS: 202146-40-5
• 化学式: C₂₇H₃₂FeN₂
• 分子量: 440.411
• InChiKey: YEFIGVSEZIMJGJ-PGPDXVTHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  甲苯 、 N,N'-bis(2,6-dimethylphenyl)butane-2,3-diimine iron(II) chloride 在 sodium 、 汞 作用下， 反应 53.5h， 以48%的产率得到(N,N'-bis(2,6-dimethylphenyl)ethylenediimine)(eta.(6)-toluene)Fe
  参考文献：
  名称：

  机械观察高铁（I）催化的丁二烯二聚反应

  摘要：

  Iron complexes are commonly used in catalysis, but the identity of the active catalyst is often unknown, which prevents a detailed understanding of structure reactivity relationships for catalyst design. Here we report the isolation and electronic structure determination of a well-defined, low-valent iron complex that is an active Catalyst in the synthesis of cis,cis-1,5-cyclooctadiene (COD) from 1,3-butadiene. Spectroscopic and magnetic characterization establishes a high-spin Fe(I) center, which is supported by DFT studies, where partial metal ligand antibonding orbital population is proposed to allow for facile ligand exchange during catalysis.

  DOI：

  10.1021/acs.organomet.6b00474

文献信息

• Le Floch, Pascal; Knoch, Falk; Kremer, Frank, European Journal of Inorganic Chemistry, 1998, # 1, p. 119 - 126
  作者：Le Floch, Pascal、Knoch, Falk、Kremer, Frank、Mathey, Francois、Scholz, Joachim、Scholz, Wolfgang、Thiele, Karl-Heinz、Zenneck, Ulrich

  DOI：——

  日期：——