tert-Butyl-[methyl-(2,3,4,5-tetramethyl-cyclopenta-2,4-dienyl)-silanyl]-amine | 570401-32-0

• 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: tert-Butyl-[methyl-(2,3,4,5-tetramethyl-cyclopenta-2,4-dienyl)-silanyl]-amine
• 英文别名: 2-methyl-N-[methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]propan-2-amine
• CAS: 570401-32-0
• 化学式: C₁₄H₂₇NSi
• 分子量: 237.461
• InChiKey: DMFKTGUEHYNVSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  正丁基锂 、 tert-Butyl-[methyl-(2,3,4,5-tetramethyl-cyclopenta-2,4-dienyl)-silanyl]-amine 以 乙醚 、 正己烷 为溶剂， 反应 18.0h， 以96%的产率得到Li2[C5Me4SiMeH(N-t-Bu)]
  参考文献：
  名称：

  Synthesis and characterization of η5-tetramethylcyclopentadienyl-hydrido- and -chloro-silyl-η1-amido zirconium complexes

  摘要：

  The silylated tetramethylcyclopentadienes C5Me4(SiMeCl2)(SiMe3) (1) and C5Me4H(SiMeHCl) (3) were isolated by reaction of their corresponding trimethylsilyltetramethylcyclopentadienyI and tetramethylcyclopentadienyl lithium salts with SiMeCl3 and SiMeHCl2, respectively. Reaction of a toluene suspension of ZrCl4 with one equivalent of I afforded the monocyclopentadienyl zirconium complex [Zr(eta(5)-C5Me4SiMeCl2)Cl-3] (2). Reaction of 3 with (NH2Bu)-Bu-t gave C5Me4H[SiMeH((NHBu)-Bu-t)] (4) which was further metallated to give Li-2[C5Me4SiMeH((NBu)-Bu-t)] (5), used to prepare the silyl-eta(1)-amido zirconium derivative [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)Cl-2] (6) by reaction with ZrCl4(THF)(2). Chlorination of 6 with BCl3 afforded [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl-2] (12). Alkylation and amidation of 6 and 12 provided the corresponding disubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)R-2] (R = Me 7, CH2Ph 8, NMe2 9) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Me-2] (13) and monosubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)C1R] (R = C6F5 10, N(SiMC3)(2) 11) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl{N(SiMe3)(2)}] (14). All of the new compounds reported were characterized by elemental analyses and NMR spectroscopy. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00122-0
• 作为产物：
  描述：

  四甲基环戊二烯锂 以 四氢呋喃 为溶剂， 反应 34.0h， 生成 tert-Butyl-[methyl-(2,3,4,5-tetramethyl-cyclopenta-2,4-dienyl)-silanyl]-amine
  参考文献：
  名称：

  Synthesis and characterization of η5-tetramethylcyclopentadienyl-hydrido- and -chloro-silyl-η1-amido zirconium complexes

  摘要：

  The silylated tetramethylcyclopentadienes C5Me4(SiMeCl2)(SiMe3) (1) and C5Me4H(SiMeHCl) (3) were isolated by reaction of their corresponding trimethylsilyltetramethylcyclopentadienyI and tetramethylcyclopentadienyl lithium salts with SiMeCl3 and SiMeHCl2, respectively. Reaction of a toluene suspension of ZrCl4 with one equivalent of I afforded the monocyclopentadienyl zirconium complex [Zr(eta(5)-C5Me4SiMeCl2)Cl-3] (2). Reaction of 3 with (NH2Bu)-Bu-t gave C5Me4H[SiMeH((NHBu)-Bu-t)] (4) which was further metallated to give Li-2[C5Me4SiMeH((NBu)-Bu-t)] (5), used to prepare the silyl-eta(1)-amido zirconium derivative [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)Cl-2] (6) by reaction with ZrCl4(THF)(2). Chlorination of 6 with BCl3 afforded [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl-2] (12). Alkylation and amidation of 6 and 12 provided the corresponding disubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)R-2] (R = Me 7, CH2Ph 8, NMe2 9) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Me-2] (13) and monosubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)C1R] (R = C6F5 10, N(SiMC3)(2) 11) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl{N(SiMe3)(2)}] (14). All of the new compounds reported were characterized by elemental analyses and NMR spectroscopy. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00122-0

文献信息

• Synthesis and characterization of η5-tetramethylcyclopentadienyl-hydrido- and -chloro-silyl-η1-amido zirconium complexes
  作者：Ana Belén Vázquez、Pascual Royo

  DOI：10.1016/s0022-328x(03)00122-0

  日期：2003.4

  The silylated tetramethylcyclopentadienes C5Me4(SiMeCl2)(SiMe3) (1) and C5Me4H(SiMeHCl) (3) were isolated by reaction of their corresponding trimethylsilyltetramethylcyclopentadienyI and tetramethylcyclopentadienyl lithium salts with SiMeCl3 and SiMeHCl2, respectively. Reaction of a toluene suspension of ZrCl4 with one equivalent of I afforded the monocyclopentadienyl zirconium complex [Zr(eta(5)-C5Me4SiMeCl2)Cl-3] (2). Reaction of 3 with (NH2Bu)-Bu-t gave C5Me4H[SiMeH((NHBu)-Bu-t)] (4) which was further metallated to give Li-2[C5Me4SiMeH((NBu)-Bu-t)] (5), used to prepare the silyl-eta(1)-amido zirconium derivative [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)Cl-2] (6) by reaction with ZrCl4(THF)(2). Chlorination of 6 with BCl3 afforded [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl-2] (12). Alkylation and amidation of 6 and 12 provided the corresponding disubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)R-2] (R = Me 7, CH2Ph 8, NMe2 9) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Me-2] (13) and monosubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)C1R] (R = C6F5 10, N(SiMC3)(2) 11) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)ClN(SiMe3)(2)}] (14). All of the new compounds reported were characterized by elemental analyses and NMR spectroscopy. (C) 2003 Elsevier Science B.V. All rights reserved.