trimethyl(2,5-di(tert-butyl)cyclopentadienyl)silane | 168283-74-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: trimethyl(2,5-di(tert-butyl)cyclopentadienyl)silane
• 英文别名: (2,5-Di-tert-butylcyclopenta-2,4-dien-1-yl)(trimethyl)silane；(2,5-ditert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
• CAS: 168283-74-7
• 化学式: C₁₆H₃₀Si
• 分子量: 250.5
• InChiKey: GANXHDAXCZRIQS-UHFFFAOYSA-N

物化性质

• 沸点：
  286.0±9.0 °C(Predicted)
• 密度：
  0.84±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  氯化铪 、 trimethyl(2,5-di(tert-butyl)cyclopentadienyl)silane 以 甲苯 为溶剂， 以74%的产率得到[Hf(C5H3-1,3-(t)Bu2)Cl3]
  参考文献：
  名称：

  Synthesis and characterization of tert-butylcyclopentadienyl derivatives of hafnium

  摘要：

  Reaction of Si(C5H3-1,3-(t)Bu(2))Me(3) with HfCl4 in toluene or hexane at room temperature afforded the new trichloro monocyclopentadienyl derivatives [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] (1). Treatment of [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] with the appropriate alkylating reagent in hexane gave the mono[1,3-di(tert-butyl)cyclopentadienyl] trialkyl hafnium complexes [Hf(eta(5)-C5H3-1,3-(t)Bu(2))R(3)] [R = CH3 (2), CH2C6H5(3), CH2Si(CH3)(3) (4)]. When [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] reacts with 1 equivalent of TlCp in toluene at room temperature the mixed dicyclopentadienyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)Cl-2] (5) was isolated in almost quantitative yield. Reaction of 5 with LiMe led to the dimethyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH3)(2)] (6). However, the analogous reaction of a hexane solution of 5 with MgBz(2) . 2THF in the presence of traces of water afforded the mu oxo derivative [{Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH2C6H5)}(2)(mu-O)] (7).

  DOI：

  10.1016/0022-328x(95)06020-w
• 作为产物：
  描述：

  三甲基氯硅烷 、 以 正己烷 为溶剂， 反应 2.0h， 以90%的产率得到trimethyl(2,5-di(tert-butyl)cyclopentadienyl)silane
  参考文献：
  名称：

  中性和阳离子二（叔丁基）环戊二烯基钛，锆和铪配合物的无配体的阳离子的动态NMR研究[M（1,3-吨卜2 - η 5 -C 5 H ^ 3）（η 5 -C 5 H 5）（CH 3）] +（M = Zr，Hf）

  摘要：

  含有二第4族金属配合物（叔丁基）环戊二烯基配位体（1,3-吨卜2 - η 5 -C 5 H ^ 3）已经被合成。1,3-和1,4-二（叔丁基）环戊二烯异构体的混合物与KH在THF中在-78°C下反应，得到盐K + [（1,3- t Bu 2 C 5 H 3）] -（THF）1-3 2为白色固体。用氯三甲基硅烷以1：1的摩尔比处理2，得到空气稳定的三甲基甲硅烷基环戊二烯基衍生物Si（1,3-t Bu 2 C 5 H 3）（CH 3）3 3。的甲硅烷基衍生物3是一个极好的前体的单环戊二烯三氯和锆化合物M（1,3-吨卜2 - η 5 -C 5 H ^ 3）氯3 [M =的Ti（4），锆（5）]。在NEt 3存在下将化学计量的水添加到4的甲苯溶液中，得到羰基三聚体化合物[Ti（1,3- t Bu 2 - η5 -C 5 H 3）Cl（μ- O）] 3 6。4与2equiv的反应。石灰，得到氯甲基衍生物的Ti（1

  DOI：

  10.1016/s0022-328x(97)00034-x

文献信息

• Synthesis of bis (tert-butyl)cyclopentadienyl derivatives of titanium and zirconium. NMR spectra and dynamic behaviour of the base-free [Zr(1,3-tBu2-η5-C5H3)(CH2Ph)2]+ cation
  作者：JoséIgnacio Amor、Tomás Cuenca、Mikhail Galakhov、Pascual Royo

  DOI：10.1016/0022-328x(95)00116-8

  日期：1995.7

  Reaction of Si(1,3-(t)Bu(2)-C5H3)Me(3) with MCl(4) (M = Ti, Zr) in toluene or hexane at room temperature affords the new trichloromonociclopentadienyl-type derivatives [M(1,3-(t)Bu(2)-eta(5)-C5H3)Cl-3] (M = Ti (2), Zr (3)]. Treatment of complexes 2 and 3 with appropriate alkylating reagents in hexane gives the 1,3-di(tert-butyl)cyclopentadienyl trialkyl titanium and zirconium complexes [M(1,3-(t)Bu(2)-eta(5)-C5H3)R(3)][M = Ti, R = CH3 (4), CH(2)Ph (5); M = Zr, R = CH3 (6), CH(2)Ph (7), CH(2)CMe(2)Ph (8)]. Interestingly, when 2 reacts with 3.1 equivalents of LiCH(2)CMe(2)Ph in hexane at room temperature the ring-tert-butyl-metallated complex [Ti(1-(t)Bu-3-CMe(2)CH(2)-eta(5)-C5H3) (CH(2)CMe(2)Ph)(2)] (9) was isolated in 90% yield. The cationic mono(1,3-di-(tert-butyl)cyclopentadienyl dibenzyl zirconium species [Zr(1,3-(t)Bu(2)-eta(5)-C5H3)(CH(2)Ph)(2)](+), generated in situ by reaction of the tribenzyl complex 7 with B(C6F5)(3) or [CPh(3)](+)[B(C6F5)(4)](-) reagents, is reported and their dynamic NMR behaviour in CD2Cl2 solutions at low temperatures is studied.
• Synthesis and characterization of tert-butylcyclopentadienyl derivatives of hafnium
  作者：Tomás Cuenca、Cristina Montejano、Pascual Royo

  DOI：10.1016/0022-328x(95)06020-w

  日期：1996.5

  Reaction of Si(C5H3-1,3-(t)Bu(2))Me(3) with HfCl4 in toluene or hexane at room temperature afforded the new trichloro monocyclopentadienyl derivatives [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] (1). Treatment of [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] with the appropriate alkylating reagent in hexane gave the mono[1,3-di(tert-butyl)cyclopentadienyl] trialkyl hafnium complexes [Hf(eta(5)-C5H3-1,3-(t)Bu(2))R(3)] [R = CH3 (2), CH2C6H5(3), CH2Si(CH3)(3) (4)]. When [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] reacts with 1 equivalent of TlCp in toluene at room temperature the mixed dicyclopentadienyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)Cl-2] (5) was isolated in almost quantitative yield. Reaction of 5 with LiMe led to the dimethyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH3)(2)] (6). However, the analogous reaction of a hexane solution of 5 with MgBz(2) . 2THF in the presence of traces of water afforded the mu oxo derivative [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH2C6H5)}(2)(mu-O)] (7).
• Neutral and cationic di(tert-butyl) cyclopentadienyl titanium, zirconium and hafnium complexes dynamic NMR study of the ligand-free cations [M(1,3-tBu2-η5-C5H3)(η5-C5H5)(CH3)]+ (M = Zr, Hf)
  作者：José Ignacio Amor、Tomás Cuenca、Mikhail Galakhov、Pilar Gómez-Sal、A. Manzanero、Pascual Royo

  DOI：10.1016/s0022-328x(97)00034-x

  日期：1997.5

  obtained as a mixture of syn- and anti-isomers as shown by NMR spectroscopic observations. The formation of (29) and (30) implies the stabilization of the 14-electron cationic intermediate by interaction with one methyl group of the neutral complexes (14) and (26). Complexes (27) and (28) undergo heterolytic dissociation of the Metal-MeB(C6F5)3 bonds, leading to the formation of the free [M(1,3-tBu2-η5

  含有二第4族金属配合物（叔丁基）环戊二烯基配位体（1,3-吨卜2 - η 5 -C 5 H ^ 3）已经被合成。1,3-和1,4-二（叔丁基）环戊二烯异构体的混合物与KH在THF中在-78°C下反应，得到盐K + [（1,3- t Bu 2 C 5 H 3）] -（THF）1-3 2为白色固体。用氯三甲基硅烷以1：1的摩尔比处理2，得到空气稳定的三甲基甲硅烷基环戊二烯基衍生物Si（1,3-t Bu 2 C 5 H 3）（CH 3）3 3。的甲硅烷基衍生物3是一个极好的前体的单环戊二烯三氯和锆化合物M（1,3-吨卜2 - η 5 -C 5 H ^ 3）氯3 [M =的Ti（4），锆（5）]。在NEt 3存在下将化学计量的水添加到4的甲苯溶液中，得到羰基三聚体化合物[Ti（1,3- t Bu 2 - η5 -C 5 H 3）Cl（μ- O）] 3 6。4与2equiv的反应。石灰，得到氯甲基衍生物的Ti（1