[Y(η5:η1-C5Me4SiMe2(C4H3O-2))(CH2SiMe3)2(THF)] | 501651-87-2

• 英文名称: [Y(η5:η1-C5Me4SiMe2(C4H3O-2))(CH2SiMe3)2(THF)]
• CAS: 501651-87-2
• 化学式: C₂₇H₅₁O₂Si₃Y
• 分子量: 580.863
• InChiKey: ZSKBMDRPQMIHCW-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

• 作为反应物：
  描述：

  [Y(η5:η1-C5Me4SiMe2(C4H3O-2))(CH2SiMe3)2(THF)] 、 三苯基硼烷 以 氘代四氢呋喃 为溶剂， 生成 [Y(η5:η1-C5Me4SiMe2(C4H3O-2))(CH2SiMe3)(THF)(x)][BPh3(CH3SiMe3)]
  参考文献：
  名称：

  含有呋喃基官能化的环戊二烯基配体的稀土金属的烷基络合物：烷基阳离子的形成和呋喃基的意外开环反应

  摘要：

  的类型的稀土类金属配合物[LN {η 5：η 1 -C 5我4森达2（C 4 H ^ 3 O-2）}（CH 2森达3）2（THF）]（Ln为Y，路）是通过[Ln（CH 2 SiMe 3）3（THF）2 ]与2-呋喃基官能化的四甲基环戊二烯（C 5 Me 4 H）SiMe 2（C 4 H 3O-2）并分离为无色晶体。complex配合物的单晶X射线结构分析证实了呋喃基和THF的配位产生了一个三角形的双锥体几何分子，其供氧原子位于顶端。氧供体原子的不稳定性导致通量行为。与THF中的三苯基硼烷的反应，得到热鲁棒单（烷基）阳离子[LN {η 5：η 1 -C 5我4森达2（C 4 H ^ 3 O-2）}（CH 2森达3）（THF）Ñ ] +。出乎意料的是，[Ln（CH 2 SiMe 3）的反应3（THF）2 ]与5甲基呋喃基官能化的四甲基环戊二烯（C 5我4 1H）森达2 {（C 4 H ^ 2的

  DOI：

  10.1021/om0207010
• 作为产物：
  描述：

  yttrium trichloride*3tetrahydrofuran 、 Furan-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane 、 trimethylsilylmethyllithium 以 正己烷 为溶剂， 以51%的产率得到[Y(η5:η1-C5Me4SiMe2(C4H3O-2))(CH2SiMe3)2(THF)]
  参考文献：
  名称：

  含有呋喃基官能化的环戊二烯基配体的稀土金属的烷基络合物：烷基阳离子的形成和呋喃基的意外开环反应

  摘要：

  的类型的稀土类金属配合物[LN {η 5：η 1 -C 5我4森达2（C 4 H ^ 3 O-2）}（CH 2森达3）2（THF）]（Ln为Y，路）是通过[Ln（CH 2 SiMe 3）3（THF）2 ]与2-呋喃基官能化的四甲基环戊二烯（C 5 Me 4 H）SiMe 2（C 4 H 3O-2）并分离为无色晶体。complex配合物的单晶X射线结构分析证实了呋喃基和THF的配位产生了一个三角形的双锥体几何分子，其供氧原子位于顶端。氧供体原子的不稳定性导致通量行为。与THF中的三苯基硼烷的反应，得到热鲁棒单（烷基）阳离子[LN {η 5：η 1 -C 5我4森达2（C 4 H ^ 3 O-2）}（CH 2森达3）（THF）Ñ ] +。出乎意料的是，[Ln（CH 2 SiMe 3）的反应3（THF）2 ]与5甲基呋喃基官能化的四甲基环戊二烯（C 5我4 1H）森达2 {（C 4 H ^ 2的

  DOI：

  10.1021/om0207010

文献信息

• Ring-Opening of a Furyl Group Appended to the Cyclopentadienyl Ligand in Rare-Earth Metal Half-Sandwich Complexes
  作者：Julia Hitzbleck、Jun Okuda

  DOI：10.1021/om0701726

  日期：2007.6.1

  A series of scandium, lutetium, and yttrium complexes containing a tetramethylcyclopentadienyl ligand with a pendant furyl group, [Lneta(5)-C5Me4SiMe2(C4H2RO-2)}(CH2SiMe3)(2)(THF)] (Ln = Sc, Lu, Y; R = H, Me), have been synthesized and structurally characterized. Single-crystal X-ray diffraction studies of the scandium complexes [Sceta(5)-C5Me4SiMe2(C4H2RO-2)}(CH2SiMe3)(2)(THF)] (R = H, Me) revealed a pseudo-four-coordinate metal center without additional coordination of the furyl group. The previously elusive lutetium complex [Lueta(5)-C5Me4SiMe2(C4H2MeO-2)}(CH2SiMe3)(2)(THF)] could be isolated and exhibited structural features analogous to those of the scandium compound. Variable-temperature H-1 NMR spectroscopic studies of the entire series confirmed the labile nature of both the THF ligands and furyl donor in solution. Rates for the ring-opening reaction, triggered by intramolecular C-H bond activation, were shown to depend primarily on the metal size. The ring-opening reaction resulted in the formation of the corresponding dinuclear yne-enolate complexes [Lneta(5):eta(1)-C5Me4SiMe2(CCCHCRO)}(CH2SiMe3)](2) (Ln = Sc, Lu, Y; R = H, Me). Substitution at the 5-furyl position did not markedly influence the rate of the ring-opening reaction but shifted the position of the monomer-dimer equilibrium toward the monomer. Only a large excess of THF allowed the observation of monomeric yne-enolate complexes such as [Yeta(5):eta(1)-C5Me4SiMe2(CCCHCHO)}(CH2SiMe3)(THF)(2)], which was characterized by X-ray crystallography. Addition of THF increased the stability of the lutetium bis(alkyl) complexes and allowed the formation of the corresponding cationic compounds by treatment with [NEt3H][BPh4] to yield [Lueta(5):eta(1)-C5Me4SiMe2(C4H2RO-2)}(CH2SiMe3)(THF)(n)][BPh4] (Ln = Lu; R = H, Me), which resisted ring- opening of the furyl group.