| 182140-17-6

• CAS: 182140-17-6
• 化学式: C₂₇H₂₈NiO₃W
• 分子量: 643.058
• InChiKey: TVUDGKHORKWHLK-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：

  苯乙炔 、 Ni(η(5)-C5Me5)W(CO)3(η(5)-C5H4Me) 以 二氯甲烷 为溶剂， 生成 、 Ni(η(5)-C5Me5)(μ-η(3)(Ni),η(1)(1-W)-C(H)C(Ph)C(O))W(CO)2(η(5)-C5H4Me) 、 Ni(η(5)-C5Me5)(μ-η(2),η(2)-PhC2H)W(CO)2(η(5)-C5H4Me)
  参考文献：
  名称：

  Reactions of Terminal Alkynes with Group 6−Group 10 Heterobimetallics

  摘要：

  Reactions of PhC(2)H with NiCp*M(CO)(3)Cp '' [Ni-M: M = Mo, W; Cp* = eta(5)-C(5)Me(5); Cp '' = Cp (eta(5)-C5H5) or Cp' (eta(5)-C(5)H(4)Me)] afford metallacyclic species 4, of formula NiCp*{mu-eta(3)-(Ni),eta(1)(1-M)C(H)C(Ph)C(O)}M(CO)(2)Cp (Ni-M, M = Mo, W), as the principal products. These compounds are isomeric to four-membered nickelacycles obtained in similar reactions with ] disubstituted alkynes and contain five-membered NiC(O)C(H)C(Ph)M ring systems. Phenylacetylene also affords minor quantities of alkyne bridged complexes with ''dimetallatetrahedrane-type'' nuclear cores. Alkylation of 4 with (Me(3)O)(BF4-)-B-+ results in the methylation of the metallacyclic (acyl-like) carbonyl ligand and a structural rearrangement ensues: cationic four-membered molybdena- or tungstenacycles 6 of formula [NiCp*{mu-eta(3)(Ni),eta(2)(1,3-M)C(H)C(Ph)C(OMe)}M(CO)(2)Cp](BF4-)-B-+ (Ni-M, M = Mo, W) result. An iodide-for-carbonyl substitution reaction on 6 affords the neutral complexes 8 [NiCp*{mu-eta(3)(Ni),eta(2)(1,3-M)C(H)C(Ph)C(OMe)}MI(CO)Cp] (Ni-M), which maintain the structural core present in 6. The structure of 8b', [NiCp*{mu-eta(3)(Ni),eta(2)(1,3-W)C(H)C(Ph)C(OMe)}WI(CO)Cp'] (Ni-W) was established by X-ray diffraction.

  DOI：

  10.1021/om960379r

文献信息

• Isolation of a diketone species that is allylically bound to tungsten, and its relationship to a tungsten η2-ketone complex
  作者：Michael J. Chetcuti、Phillip E. Fanwick、Brian E. Grant

  DOI：10.1016/s0022-328x(01)01027-0

  日期：2001.7

  The diketone complex [W(CO)2(η-C5H4Me)η3-(H)C(O)C5Me5}] (3) was isolated from the reaction of PhC2H with a mixture of [Ni(CO)I(η-C5Me5)] and [W(CO)3(η-C5H4Me)]−. Complex 3 contains an organic diketone fragment that is bound in a π-allyl fashion to a tungsten atom. It was fully characterized by standard spectroscopic techniques and by a single-crystal X-ray diffraction study. The relationship of

  二酮络合物[W（CO）2（η-C 5 H ^ 4 Me）的η 3 - （H）C（O）C 5我5 }]（3）从光子晶体的反应中分离2 H带的混合物[镍（CO）I（η-C 5我5）]和[W（CO）3（η-C 5 H ^ 4 Me）中] - 。配合物3包含有机二酮片段，其以π-烯丙基的方式结合到钨原子上。它通过标准光谱技术和单晶X射线衍射研究得到了充分的表征。复合体3的关系到结构上表征环戊二烯基钨η 2 -酮物种1，和的可能性3和的甲基环戊二烯基类似物1共享共同的中间体，进行了讨论。