1,1-[SiMe2(allyl)]2C5H4 | 583029-96-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 1,1-[SiMe2(allyl)]2C5H4
• 英文别名: [1-[Dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-yl]-dimethyl-prop-2-enylsilane
• CAS: 583029-96-3
• 化学式: C₁₅H₂₆Si₂
• 分子量: 262.542
• InChiKey: NNNYCZPPNUODRY-UHFFFAOYSA-N

物化性质

• 沸点：
  287.6±28.0 °C(Predicted)
• 密度：
  0.85±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,1-[SiMe2(allyl)]2C5H4 、 五氯化钽 以 甲苯 为溶剂， 以0%的产率得到[Ta(η5-C5H4SiMe2(CH2CH=CH2))Cl2]
  参考文献：
  名称：

  Synthesis and characterization of η5-cyclopentadienyl–silylallyl niobium and tantalum complexes

  摘要：

  Reaction of the disilylcyclopentadiene 1,1-[SiMe2(CH2CH=CH2)](2)C5H4 with NbCl5 gave the new allylsilyl-substituted monocyclopentadienyl niobium complex [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}Cl-4]. This compound was reacted with LiNHtBu or NH(2)tBu to give the imido derivative [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2) (NtBu)Cl-2], which was further alkylated to the imido alkyl complexes [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}(NtBu)Cl-2] (R=Me, CH2Ph) and [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}(NtBu)Cl (CH2Ph)]. Reaction of the imido complexes with the corresponding lithium cyclopentadienides gave the dicyclopentadienyl-imido complexes [M(eta(5)-C5R5){eta(5)-C5H4SiMe2(CH2CH=CH2)}(NtBu)Cl] (M = Nb, Ta; R = H, Me). Metallocene dichlorides [M(eta(5)-C5R5){eta(5)-C5H4SiMe2(CH2CH=CH2)}Cl-2] (M = Nb, Ta; R = H, Me) were easily prepared by reduction with Na/Hg and simultaneous transmetallation of [Ta(eta(5)-C5R5)Cl-4] with Li[C5H4SiMe2(CH2CH=CH2)] and of [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}Cl-4] with Li(C5R5). All of the new compounds have been characterized by elemental analysis, and IR and NMR spectroscopy. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.017

文献信息

• Allylsilylcyclopentadienyl Group 4 metal complexes: synthesis, structure and reactivity
  作者：Jesús Cano、Pilar Gómez-Sal、Georg Heinz、Gema Martı́nez、Pascual Royo

  DOI：10.1016/s0020-1693(02)01280-x

  日期：2003.3

  metallocene complexes using MeLi, MgMeCl, Mg(CH2Ph)Cl and Mg(CH2Ph)2(THF)2 afforded the monomethyl titanium [Ti(η5-C5H5)η5-C5H4SiMe2(CH2CHCH2)}ClMe] (15) and the dialkyl cyclopentadienyl [M(η5-C5H5)η5-C5H4SiMe2 (CH2CHCH2)}R2] (R=Me, M=Ti 16, Zr 18; R=CH2Ph, M=Ti 20, Zr 22), [Zrη5-C5H4SiMe2(CH2CHCH2)}2R2] (R=Me 17, CH2Ph 21) and indenyl derivatives [Zr(η5-C5H5)η5-C9H6SiMe2(CH2CHCH2)}R2] (R=Me 19, CH2Ph

  （Allyldimethyl）甲硅烷基取代的环戊二烯Ç 5 ħ 5森达2（CH 2 CHCH 2）（1）和茚Ç 9 ħ 7 1-森达2（CH 2 CHCH 2）（2）由反应合成森达的2（CH 2 CHCH 2）氯与NAC 5 ħ 5或LIC 9 ħ 7，分别。用n-BuLi和TlOEt金属化1得到相应的锂3和al 5盐。所述disilylcylopentadienesÇ 5 ħ 4 1-森达3 1-森达2（CH 2 CHCH 2）（6）和C 5 H ^ 4 1,1-[森达2（CH 2 CHCH 2）] 2通过使3与相应的氯硅烷反应来制备（7）。化合物7用TiCl 4进行反应4，得到单环戊二烯基化合物钛[Ti η 5 -C 5 H ^ 4森达2（CH 2 CHCH2）}氯3 ]（8），而5是用于制备二茂钛钛[Ti（η 5 -Cp）η 5 -C 5 H ^ 4森达2（CH