| 228863-53-4

• CAS: 228863-53-4
• 化学式: C₂₂H₂₂Ti
• 分子量: 334.297
• InChiKey: JTMGXKCAEOGHFQ-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：

  bis(trimethylsilyl)acetylenetitanocene 、 2,4-己二炔 以 not given 为溶剂， 生成 、 [Cp2Ti]2[μ-η(2)-(1-3)-η(2)-(2-4)-trans,trans-(MeC4Me)] 、 cyclopenta-1,3-diene;4,5-di(ethylidene)oct-2-en-6-yne;titanium(4+)
  参考文献：
  名称：

  Dimerization of titanacyclocumulenes to titanium substituted radialenes: synthesis, stability and reactions of five-membered titanacyclocumulenes with a coupling of two 1,4-diphenyl-1,3-butadiyne between two titanocene molecules to radialene-like fused titanacyclopentadiene compounds

  摘要：

  The reactions of the excellent titanocene source Cp2Ti(eta(2)-Me3SiC2SiMe3) with different 1,4-substituted 1,3-butadiynes RC=C-C=CR give, by substitution of the acetylene in a one to one complexation of titanocene and the diyne, different five-membered titanacyclocumulenes Cp2Ti[eta(2)-(1-2-3-4)-RC4,R]. While these complexes are very stable for R = Bu-t, the metallacyclocumulene with R = Ph is unstable in solution and stabilizes by dimerization to dinuclear isomers: a fused titanacyclopentadiene-titanacyclopentene complex 1 and a compound 2 consisting of two fused titanacyclopentadiene ring systems and thus possessing a titanium substituted radialene structure. With the monomethyl-cyclopentadienyl complex (H4MeC5)(2)Ti(eta(2)-Me3SiC2SiMe3) in the reaction with PhC=C-C=CPh the titanium substituted radialene 7 was isolated in a low yield among some other as yet unidentified complexes. Complexes 2 and 7 were investigated by an X-ray crystal structure analysis. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)01114-0