[Ni((o-Tol-O)3P)2(η2(1:2)-PhCCCCPh)] | 165608-80-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: [Ni((o-Tol-O)3P)2(η2(1:2)-PhCCCCPh)]
• CAS: 165608-80-0
• 化学式: C₅₈H₅₂NiO₆P₂
• 分子量: 965.685
• InChiKey: RMZCROZAZBGXPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.25
• 重原子数：
  67.0
• 可旋转键数：
  15.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  Ni[P(OC6H4CH3-o)]2(C2H4) 、 1，4-二苯基丁二炔 以 乙醚 为溶剂， 以54%的产率得到[Ni((o-Tol-O)3P)2(η2(1:2)-PhCCCCPh)]
  参考文献：
  名称：

  Rosenthal, Uwe; Pulst, Siegmar; Arndt, Perdita, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 3, p. 368 - 376

  摘要：

  DOI：
• 作为试剂：
  描述：

  4-辛炔 、 二苯基硅烷 在 [Ni((o-Tol-O)3P)2(η2(1:2)-PhCCCCPh)] 作用下， 反应 6.0h， 以35%的产率得到4-Diphenylsilyl-4,5,6,7,8-pentapropyl-4,6,8-duodecatrien
  参考文献：
  名称：

  Hydrosilylierung von symmetrisch disubstituierten Alkinen und Butadiinen mit L2Ni(0)-Butadiin-Komplexen [L  Ph3P, (o-Tol-O)3P] als Katalysatoren

  摘要：

  The hydrosilatation of Pr-n-C=C-Pr-n, Ph-C=C-Ph, Me3Si-C=C-SiMe3, Ph-C=C-C=C-Ph, Bu-t-C=C-C=C-Bu-t and Me3Si-C=C-C=C-SiMe3 with Ph2SiH2, PhMe2SiH and Et3SiH in the presence of L2Ni(0)-butadiyne catalysts [L = Ph3P, (o-Tol-O)(3)P] has been studied. In all cases the hydrosilylation proceeds via a cis-addition of the silanes. The disubstituted alkynes (Pr-n-C=C-Pr-n, Ph-C=C-Ph) give hydrosilylated ethene, butadiene and hexatriene derivatives as well as non-hydrosilylated benzene derivatives. In the case of Me3Si-C=C-SiMe3 no reaction was observed. The hydrosilylation of disubstituted butadiynes proceeds stepwise to give at first the 1,2-adducts. In dependence on the butadiynes either a 1,4-addition (Bu-t-C=C-C=C-Bu-t, Me3Si-C=C-C=C-SiMe3) to the corresponding allene derivatives (11, 13, 15) or a 3,4-addition (Ph-C=C-C=C-Ph) to the 1,3-butadiene 19 takes place subsequently. The reaction products were characterized by mass spectrometry, IR and NMR spectroscopy.

  DOI：

  10.1016/s0022-328x(96)06734-4