| 166754-18-3

• CAS: 166754-18-3
• 化学式: C₁₅H₁₃FFeN₂O₅
• 分子量: 376.124
• InChiKey: JANFVUTZVPPYRV-MAJYTBHHSA-M

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：

  dicarbonylcyclopentadienyliodoiron(II) 、 替加氟 在 HN(i)Pr₂ 作用下， 以 苯 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Photochemical reaction of (η5-cyclopentadienyl) dicarbonyliron iodide with 1-substituted uracils in the presence of diisopropylamine: crystal structure of the (η5-C5H5Fe(CO)2 complex of deprotonated 5-fluoro-1-(tetrahydro-2-furyl) uracil (Ftorafur)

  摘要：

  Irradiation with visible light of a mixture of Fe(Cp)(CO)(2)I (Cp = eta(5)-cyclopentadienyl) with 1-methyluracil (1a), 5-fluoro-1-(tetrahydro-2-furyl)uracil (Ftorafur) (1b) or 6-azauridine-2'3'5'-triacetate (1c) in the presence of diisopropylamine affords complexes in which the Fe(Cp)(CO)(2) moiety is bound to the deprotonated N(3) atom of the uracil moiety. The crystal structure of 2b, made from 1b, was determined and is compared with the known structures of the alpha(A), alpha(B) and beta forms of Ftorafur and that of its eta(1)-Au complex. Complex 2b shows the shortest intramolecular C-H...O hydrogen bond between the tetrahydrofuran and uracil rings. The stereochemistry of this complex is also discussed.

  DOI：

  10.1016/0022-328x(95)05467-4