cyclopenta-1,3-diene;2,3-diphenylprop-2-enoate;titanium(4+) | 118983-73-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: cyclopenta-1,3-diene;2,3-diphenylprop-2-enoate;titanium(4+)
• CAS: 118983-73-6
• 化学式: C₂₅H₂₀O₂Ti
• 分子量: 400.313
• InChiKey: PRVMUMVEEPFCNF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.48
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 air 作用下， 以 苯 为溶剂， 以67%的产率得到cyclopenta-1,3-diene;2,3-diphenylprop-2-enoate;titanium(4+)
  参考文献：
  名称：

  Interaction of carbon dioxide with acetylene complexes of titanocene Cp2Ti(RC2R) (R Ph, SiMe3). Synthesis and structure of binuclear σ-alkenylcarboxylate complexes of titanium (III) Cp2TiC(R)C(R) COOTiCp2 and unexpected transformation of these complexes into titanafuranone metallacycles under the action of air oxygen

  摘要：

  It has been shown that carbon dioxide reacts with acetylene complexes of titanocene Cp2Ti(RC2R) (R = Ph, SiMe3) at room temperature and atmospheric pressure to form binuclear o-alkenylcarboxylate complexes of trivalent titanium Cp2TiC(R)=C(R)-COOTiCp2 containing two fused chelate cycles and a tricoordinated oxygen atom. The interaction of these binuclear carboxylate complexes with air oxygen at 20 degrees C results in rapid formation of titanafuranone metallacycles Cp-2 TiC(R)=C(R)-C(O)-O. X-ray diffraction studies of complexes Cp2TiC(SiMe3)=C(SiMe3)-COOTiCp2 and Cp-2 TiC(Ph)=C(Ph)-C(O)-O have been carried out. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00288-x