| 1015427-80-1

• CAS: 1015427-80-1
• 化学式: C₂₁H₁₆FeN₂O₄W
• 分子量: 600.066
• InChiKey: SGIWIMJUELCSSA-VFXLICKSSA-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

• 作为产物：
  描述：

  2-氨甲基吡啶 、 二茂铁甲醛 、 cis-(tungsten tetracarbonyl bipiperidine) 以 乙醇 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Synthesis of tungsten compounds with Schiff base ligands prepared from ferrocenecarboxaldehyde: Observation of the migration of an imine double bond

  摘要：

  The one-pot reactions of ferrocenecarboxaldehyde, W(CO)(4)(pip)(2) (pip = piperidine) and either 2-(aminomethyl) pyridine or 2-(2-aminoethyl) pyridine lead to clean formation of pyridine imine products W(CO)(4)(eta(2)-NC5H4CH=NCH2C5H4FeCp) ( 1) and W(CO)(4)(eta(2)-NC5H4C2H4N=CHC5H4FeCp) (2), respectively. Crystal structures of the two compounds show that in 1 the imine double bond has migrated so that it is conjugated with the pyridine ring while in 2 the imine double bond remains conjugated with the cyclopentadienyl ring. This finding is reinforced by a comparison of dihedral angles in each molecule. IR, NMR and electronic spectra each highlight the differences between the two compounds. Crystal data for C21H16FeN2O4W (1): monoclinic P2(1)/c, a = 12.768(2) angstrom, b = 13.593(2) angstrom, c = 12.981(2) angstrom, b = 119.46 degrees, V = 1961.6( 4) angstrom(3), Z = 4; C22H18FeN2O4W (2): monoclinic P2(1)/c, a = 16.759(1) angstrom, b = 8.8612(7) angstrom, c = 13.802(1) angstrom, b = 95.998(1)degrees, V = 2038.4(3) angstrom(3), Z = 4.

  DOI：

  10.1016/j.jorganchem.2007.11.046