Cp(*)W(NO)(η(2)-CPhCH2)(Cl) | 241144-84-3

• 英文名称: Cp(*)W(NO)(η(2)-CPhCH2)(Cl)
• CAS: 241144-84-3
• 化学式: C₁₈H₂₂ClNOW
• 分子量: 487.682
• InChiKey: FCCSABAPYFIINN-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  Cp(*)W(NO)(η(2)-CPhCH2)(Cl) 、 叔丁胺 以 四氢呋喃 为溶剂， 以56%的产率得到Cp(*)W(NO)(η(1)-CPh=CH2)(NH(t)Bu)
  参考文献：
  名称：

  1-Metallacyclopropene Complexes and η¹-Vinyl Complexes Containing the Cp*W(NO) Fragment

  摘要：

  The solid-state molecular structure of Cp*W(NO)(CH2SiMe3)(eta(2)-CPhCH2) reveals that the vinyl ligand in this complex exists in a distorted form in the solid state that cannot be readily described by either of the classic eta(1)-vinyl or 1-metallacyclopropene limiting structures, by comparison to other crystallographically characterized vinyl complexes reported in the literature. However, the NMR parameters for the CPhCH2 fragment in this complex are characteristic of those of a 1-metallacyclopropene unit. In addition to these studies, a series of vinyl-containing species of the general formulas Cp*W(NO)(eta(2)-CPhCH2)(X) and Cp*W(NO)(eta(1)-CPh=CH2)(LX) (X = Cl, OTf; LX = O2CPh, (NHBu)-Bu-t, (PPh3)(H)) has been prepared, and the solid-state metrical parameters and solution NMR spectroscopic properties of these complexes have been examined and compared to those of other vinyl-containing complexes reported in the literature. It has been found that the nature of the tungsten-vinyl interaction in these compounds is dependent upon the donor strength of the one-electron (1e) X or 3e LX donor ligands that are also present in the tungsten coordination sphere.

  DOI：

  10.1021/om990178y
• 作为产物：
  描述：

  (η-pentamethylcyclopentadienyl)(nitrosyl)dichlorotungsten 、 Mg(CPhCH2)2*x(dioxane) 以 四氢呋喃 为溶剂， 以74%的产率得到Cp(*)W(NO)(η(2)-CPhCH2)(Cl)
  参考文献：
  名称：

  1-Metallacyclopropene Complexes and η¹-Vinyl Complexes Containing the Cp*W(NO) Fragment

  摘要：

  The solid-state molecular structure of Cp*W(NO)(CH2SiMe3)(eta(2)-CPhCH2) reveals that the vinyl ligand in this complex exists in a distorted form in the solid state that cannot be readily described by either of the classic eta(1)-vinyl or 1-metallacyclopropene limiting structures, by comparison to other crystallographically characterized vinyl complexes reported in the literature. However, the NMR parameters for the CPhCH2 fragment in this complex are characteristic of those of a 1-metallacyclopropene unit. In addition to these studies, a series of vinyl-containing species of the general formulas Cp*W(NO)(eta(2)-CPhCH2)(X) and Cp*W(NO)(eta(1)-CPh=CH2)(LX) (X = Cl, OTf; LX = O2CPh, (NHBu)-Bu-t, (PPh3)(H)) has been prepared, and the solid-state metrical parameters and solution NMR spectroscopic properties of these complexes have been examined and compared to those of other vinyl-containing complexes reported in the literature. It has been found that the nature of the tungsten-vinyl interaction in these compounds is dependent upon the donor strength of the one-electron (1e) X or 3e LX donor ligands that are also present in the tungsten coordination sphere.

  DOI：

  10.1021/om990178y