| 237393-37-2

• 分子结构分类: 有机化合物 - 碳氢化合物
• CAS: 237393-37-2
• 化学式: C₃H₉P*C₅H₅*C₅H₇*Ti
• 分子量: 256.163
• InChiKey: LRTDNZZIVLIPHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 丙酮 以 四氢呋喃 为溶剂， 以27%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of a dimeric acetone coupling product with a titanium–pentadienyl complex

  摘要：

  The reactions of Ti(C5H4R)(C5H7)(PMe3) complexes (R = H, CH3; C5H7 = pentadienyl) with acetone lead to the coupling of each dienyl terminus to a molecule of acetone, as had earlier been observed for the 2,4-dimethylpentadienyl ligand. However, in this case, dimeric rather than monomeric species were isolated. Confirmation of their formulations has been accomplished through a single crystal diffraction study. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00099-6