η(5)-C5H5Fe(CO)(CNC6H3Me2-2,6)COCH3 | 224192-15-8

• 英文名称: η(5)-C5H5Fe(CO)(CNC6H3Me2-2,6)COCH3
• CAS: 224192-15-8
• 化学式: C₁₇H₁₇FeNO₂
• 分子量: 323.174
• InChiKey: KGXAIKIBTKEKNJ-UHFFFAOYSA-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：

  η(5)-C5H5Fe(CO)(CNC6H3Me2-2,6)COCH3 、 2,6-二甲基苯基异腈 以 not given 为溶剂， 生成 η(5)-C5H5Fe(CNC6H3Me2-2,6)2[C(=NC6H3Me2-2,6)C(=NC6H3Me2-2,6)]CH3
  参考文献：
  名称：

  Photo-assisted preparation of double isocyanide insertion complexes of η5-cyclopentadienyliron(II) bearing only isocyanide: the molecular structure of (η5-C5H5)Fe(XylNC)2[C(NXyl)C(NXyl)CH3 (XylNC=2,6-Me2C6H3NC)

  摘要：

  Reaction of eta(5)-C5H5Fe(CO)(2)CH3 (1) with xylyl isocyanide in toluene at reflux gave eta(5)-C5H5Fe(CO)(XylNC)COCH3 (5a) (Xyl = 2,6-(CH3)(2)C6H3), whereas photochemical reaction underwent double insertion of isocyanide molecules into an iron-carbon bond to give a bis-imino type complex (eta(5)-C5H5)Fe(XylNC)(2)[C(=NXyl)C(=NXyl)CH3] (6a), determined by an X-ray analysis. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00394-6
• 作为产物：
  描述：

  dicarbonyl(cyclopentadienyl)methyliron(II) 、 2,6-二甲基苯基异腈 以 甲苯 为溶剂， 以80.2%的产率得到η(5)-C5H5Fe(CO)(CNC6H3Me2-2,6)COCH3
  参考文献：
  名称：

  Photo-assisted preparation of double isocyanide insertion complexes of η5-cyclopentadienyliron(II) bearing only isocyanide: the molecular structure of (η5-C5H5)Fe(XylNC)2[C(NXyl)C(NXyl)CH3 (XylNC=2,6-Me2C6H3NC)

  摘要：

  Reaction of eta(5)-C5H5Fe(CO)(2)CH3 (1) with xylyl isocyanide in toluene at reflux gave eta(5)-C5H5Fe(CO)(XylNC)COCH3 (5a) (Xyl = 2,6-(CH3)(2)C6H3), whereas photochemical reaction underwent double insertion of isocyanide molecules into an iron-carbon bond to give a bis-imino type complex (eta(5)-C5H5)Fe(XylNC)(2)[C(=NXyl)C(=NXyl)CH3] (6a), determined by an X-ray analysis. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00394-6