| 181944-74-1

• CAS: 181944-74-1
• 化学式: C₄₂H₅₃OPZr
• 分子量: 696.08
• InChiKey: VVBOERLUZACLAM-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

• 作为产物：
  描述：

  二苯甲酮 、 zirconocene methyl chloride 、 LiPH(2,4,6-tri-tert-butylphenyl)*3THF 以 苯 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Reactivity Studies of Methylzirconocene Phosphide Complexes

  摘要：

  The reaction of Cp(2)ZrMe(PHR) with benzophenone, cyclohexanone, acetone, benzaldehyde, and benzophenone results in the insertion of the organic substrate into the Zr-P bond. In this way, the complexes Cp(2)ZrMe(OCPh(2)PH(C6H2-2,4,6-t-Bu(3))) (3), Cp(2)ZrMe(OC6H10PH(C6H2-2,4,6-t-Bu(3))) (4), Cp(2)ZrMe(OCMe(2)PHR) (R = (C6H2-2,4,6-t-Bu(3)) (5), R = (C6H2-2,4,6-Me(3)) (8), and Cp(2)ZrMe(NC(Ph)PH(C6H2-2,4,6-t-Bu(3))) (6) were prepared. The species Cp(2)ZrMe(PH(C6H2-2,4,6-Me(3))) (7) was also formed in the reaction of Cp(2)ZrMe(2) with H2P(C6H2-2,4,6-Me(3)); however, 7 reacted further with Cp(2)ZrMe(2) to give the bimetallic species (Cp(2)ZrMe)(2)(mu-P(C6H2-2,4,6-Me(3)) (9). In the analogous reaction of Cp(2)ZrMe(2) with 1 equiv of H2P(C6H2-2,4,6-Me(3)), the species (Cp(2)Zr)(Cp(2)ZrPH(C6H2-2,4,6-Me(3)))(mu-P6H2-2,4,6-Me(3)))(mu-eta(1)-eta(5)-C5H4) (11) was obtained. Compound 11, which results from cyclopentadienyl C-H bond activation, was also formed directly from degradation of the unstable terminal phosphinidene species Cp(2)Zr(P(C6H2-2,4,6-Me(3)))(PMe(3)) (12). The implications of this chemistry are considered and discussed. Compound 3, 9, and 11 have been characterized crystallographically.

  DOI：

  10.1021/om960412+