(C₅Me₅)₂Y(η³-CH₂CMeCH₂) | 500569-37-9

• 英文名称: (C₅Me₅)₂Y(η³-CH₂CMeCH₂)
• 英文别名: (pentamethylcyclopentadienyl)2Y(2-methylallyl)；(C5(CH3)5)Y(η(3)-CH2C(CH3)CH2)
• CAS: 500569-37-9；113529-09-2
• 化学式: C₂₄H₃₇Y
• 分子量: 414.464
• InChiKey: WERURKFUNHXQRK-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：

  (C₅Me₅)₂Y(η³-CH₂CMeCH₂) 以 further solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Why propene is not polymerized by (Cp*2YH)2: reactions of yttrium alkyl complexes with alkenes produce allyl and vinyl yttrium complexes

  摘要：

  Yttrium alkyl complexes (Cp2YR)-Y-* react with C-H bonds of alkenes to form either yttrium allyl complexes or yttrium vinyl complexes. Less substituted alkenes react faster, consistent with prior alkene coordination. The selectivity of the reaction of (Cp2YR)-Y-* with C-H bonds is allylic CH3 much greater than vinyl C-H much greater than allylic CH2. Propene is readily metallated by (Cp2YR)-Y-* giving the eta(3)-allyl complex (Cp2Y)-Y-*(eta(3)-CH2 - CH - CH2) which does not react further with propene. This explains why (Cp2YR)-Y-* (R = alkyl, H) complexes make poor propene polymerization catalysts. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01771-0
• 作为产物：
  描述：

  2-Methylallylmagnesium Chloride 、 以 四氢呋喃 、 甲苯 为溶剂， 以70%的产率得到(C₅Me₅)₂Y(η³-CH₂CMeCH₂)
  参考文献：
  名称：

  Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes

  摘要：

  Dinitrogen can be reduced by photochemical activation of the trivalent rare-earth-metal bis(pentamethylcyclopentadienyl) allyl complexes (C3Me5)(2)Ln(eta(3)-C3H4R) (Ln = Y, Lu; R = H, Me) to form the (N=N)(2-)complexes [(C5Me5)(2)Ln](2)(mu-eta(2):eta(2)-N-2). This demonstrates that productive organolanthanide photochemistry is not limited to complexes of the unusual (eta(3)-C5Me4H)(-) ligand in the heteroleptic complexes (C5Me5)(2)(C5Me4H)Ln and (C5Me5)-(C5Me4H)(2)Ln. Photolytic activation of (C5Me5)(2)Ln(eta(3)-C3H5) (Ln = Y, Lu) in the presence of isoprene provides a rare photopolymerization route to polyisoprene. Sulfur can also be reduced by photolysis of (C5Me5)(2)Ln(eta(3)-C3H5) (Ln = Y, Lu) to generate the (S)(2-) complexes, [(C5Me5)(2)Ln](2)(mu-S), which have variable Ln-S-Ln angles depending on crystallization conditions.

  DOI：

  10.1021/acs.organomet.5b00613

文献信息

• Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes:  Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C₅Me₅)₂Ln]₂[μ-η³:η³-C(CH₂)₃] Complexes
  作者：William J. Evans、Timothy M. Champagne、Joseph W. Ziller、Nikolas Kaltsoyannis

  DOI：10.1021/ja0645988

  日期：2006.12.1

  metals from La to Y to examine the effects of radial size on structure and to provide closed shell examples for direct comparison with density functional theory (DFT) calculations. Synthetic routes to 1-4 have been expanded from the [(C5Me5)2Ln][(mu-Ph)2BPh2]/neopentyl lithium reaction involving beta-methyl elimination to a [(C5Me5)2Ln][(mu-Ph)2BPh2]/isobutyl lithium route. The synthetic pathways are sensitive

  镧系金属茂 [(C5Me5)2Ln]2[mu-eta3:eta3-C(CH2)3] (Ln = Sm, 1; La, 2; Pr, 3; Nd, 4; Y, 5) 已经通过合成从 La 到 Y 的金属的例子来检查径向尺寸对结构的影响，并提供闭壳例子以直接与密度泛函理论 (DFT) 计算进行比较。合成路线 1-4 已从 [(C5Me5)2Ln][(mu-Ph)2BPh2]/新戊基锂反应扩展到 [(C5Me5)2Ln][(mu-Ph)2BPh2] /异丁基锂路线。合成途径对金属半径敏感。为了获得 5，合成了甲基烯丙基复合物 (C5Me5)2Y[ C(Me) ],6，并用 [(C5Me5)2YH]x 处理。在 Lu 的情况下，新戊基复合物 [(C5Me5)2Lu C(CH3)3]x, 7, 被隔离而不是 TMM 产品。X 射线晶体学表明，每个复合物中平面 TMM 二价阴离子的度量参数是相似的。结构数据与闭壳镧和镥配合物的