| 176216-31-2

• CAS: 176216-31-2
• 化学式: BF₄*C₁₇H₂₅FeO₃
• 分子量: 420.035
• InChiKey: OIYBJWNFMMZUHS-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：

  、 水 以 二氯甲烷 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Some additional aspects of versatile starting compounds for cationic organoiron complexes: molecular structure of the aqua complex [(η5-C5Me4Et)Fe(CO)2(OH2)]BF4 and solution behavior of the THF complex [(η5C5R5)Fe(CO)2(THF)]BF4

  摘要：

  The structures of the versatile starting compounds for organoiron complexes, the cationic aqua complex [(eta(5)-C(5)Me(4)Et)Fe(Co)(2)(OH2)]BF4 (1b) and the halide complexes (eta(5)-C(5)Me(5))Fe(CO)(2)-I (2a), (eta(5)-C(5)Me(4)Et)Fe(CO)(2)-I (2b) and (eta(5)-C(5)Me(4)Et)Fe(CO)(2)-Cl (3b), are characterized by X-ray crystallography. Complex 1b [Fe-O: 2.022(8) Angstrom and 2.043(9) Angstrom, two independent molecules] is the first structurally characterized example of organoiron aqua complexes. Details of the synthetic procedures for the above complexes and the labile cationic THF complexes [(eta(5)-C(5)R(5))Fe(CO)(2)(THF)]BF4 (4) are disclosed, and the dissociation equilibrium of 4 is confirmed by means of variable temperature H-1-NMR as well as saturation transfer experiment.

  DOI：

  10.1016/0022-328x(95)05918-f
• 作为产物：
  描述：

  四氢呋喃 、 、 silver tetrafluoroborate 以 四氢呋喃 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Some additional aspects of versatile starting compounds for cationic organoiron complexes: molecular structure of the aqua complex [(η5-C5Me4Et)Fe(CO)2(OH2)]BF4 and solution behavior of the THF complex [(η5C5R5)Fe(CO)2(THF)]BF4

  摘要：

  The structures of the versatile starting compounds for organoiron complexes, the cationic aqua complex [(eta(5)-C(5)Me(4)Et)Fe(Co)(2)(OH2)]BF4 (1b) and the halide complexes (eta(5)-C(5)Me(5))Fe(CO)(2)-I (2a), (eta(5)-C(5)Me(4)Et)Fe(CO)(2)-I (2b) and (eta(5)-C(5)Me(4)Et)Fe(CO)(2)-Cl (3b), are characterized by X-ray crystallography. Complex 1b [Fe-O: 2.022(8) Angstrom and 2.043(9) Angstrom, two independent molecules] is the first structurally characterized example of organoiron aqua complexes. Details of the synthetic procedures for the above complexes and the labile cationic THF complexes [(eta(5)-C(5)R(5))Fe(CO)(2)(THF)]BF4 (4) are disclosed, and the dissociation equilibrium of 4 is confirmed by means of variable temperature H-1-NMR as well as saturation transfer experiment.

  DOI：

  10.1016/0022-328x(95)05918-f