[1-(dichloromethylsilyl)-1-trimethylsilyl]tetramethyl cyclopentadiene | 570401-30-8

• 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-(dichloromethylsilyl)-1-trimethylsilyl]tetramethyl cyclopentadiene
• 英文别名: (C5Me4)(SiMeCl2)(SiMe3)；Dichloro-methyl-(2,3,4,5-tetramethyl-1-trimethylsilylcyclopenta-2,4-dien-1-yl)silane；dichloro-methyl-(2,3,4,5-tetramethyl-1-trimethylsilylcyclopenta-2,4-dien-1-yl)silane
• CAS: 570401-30-8
• 化学式: C₁₃H₂₄Cl₂Si₂
• 分子量: 307.411
• InChiKey: XRESMLQCNWAZAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.84
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 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：

  四氯化钛 、 [1-(dichloromethylsilyl)-1-trimethylsilyl]tetramethyl cyclopentadiene 以 二氯甲烷 为溶剂， 以80%的产率得到[Ti(η5-C5Me4SiMeCl2)Cl3]
  参考文献：
  名称：

  加氢和氯取代的甲硅烷基和甲硅烷基的η 1 -酰氨基-η 5 -四甲基环戊钛络合物

  摘要：

  氯甲硅烷基环戊二烯钛前体钛[Ti（η 5 -C 5我4 SiMeXCl）氯3 ]（X = H 2，氯3）通过的TiCl反应制备4与相应的环戊二烯的三甲基甲硅烷衍生物。得到甲基络合物的这些化合物与MgClMe适当条件下的甲基化钛[Ti（η 5 -C 5我4森达2 R）XME 2 ]（R = H，X =氯5中，Me 6 ; R = X =我7） 。的反应2和3与灵两个当量吨卜得到柄-甲硅烷-η-酰胺化合物钛[Ti {η 5 -C 5我4 SIMEX（η 1 -N吨丁基）}氯2 ]（X = H 8，氯9）。的甲基化8，得到钛[Ti {η 5 -C 5我4 SiMeH（η 1 -N吨丁基）}我2 ] 10。配合物8也可以通过8与BCl 3的反应获得，而相同的反应是使用氯化剂（TiCl 4，盐酸盐）导致脱酰胺，得到2，将其也被转换成3与Bcl由反应3。所有这些新化合物都通过NMR光谱进行了表征，并通过X射线衍射法确定了2和4的分子结构。

  DOI：

  10.1016/s0022-328x(03)00559-x
• 作为产物：
  描述：

  正丁基锂 、 甲基三氯硅烷 、 三甲基(2,3,4,5-四甲基-2,4-环戊二烯-1-基)硅烷 以 四氢呋喃 、 正己烷 为溶剂， 反应 64.0h， 以94%的产率得到[1-(dichloromethylsilyl)-1-trimethylsilyl]tetramethyl cyclopentadiene
  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

• Hydro- and chloro-substituted silyl- and silyl-η1-amido-η5-tetramethylcyclopentadienyl titanium complexes
  作者：Ana Belén Vázquez、Pascual Royo、Eberhardt Herdtweck

  DOI：10.1016/s0022-328x(03)00559-x

  日期：2003.10

  Chlorosilyl-cyclopentadienyl titanium precursors [Ti(η5-C5Me4SiMeXCl)Cl3] (X=H 2, Cl 3) were prepared by reaction of TiCl4 with the trimethylsilyl derivatives of the corresponding cyclopentadienes. Methylation of these compounds with MgClMe under appropriate conditions afforded the methyl complexes [Ti(η5-C5Me4SiMe2R)XMe2] (R=H, X=Cl 5, Me 6; R=X=Me 7). Reactions of 2 and 3 with two equivalents of

  氯甲硅烷基环戊二烯钛前体钛[Ti（η 5 -C 5我4 SiMeXCl）氯3 ]（X = H 2，氯3）通过的TiCl反应制备4与相应的环戊二烯的三甲基甲硅烷衍生物。得到甲基络合物的这些化合物与MgClMe适当条件下的甲基化钛[Ti（η 5 -C 5我4森达2 R）XME 2 ]（R = H，X =氯5中，Me 6 ; R = X =我7） 。的反应2和3与灵两个当量吨卜得到柄-甲硅烷-η-酰胺化合物钛[Ti η 5 -C 5我4 SIMEX（η 1 -N吨丁基）}氯2 ]（X = H 8，氯9）。的甲基化8，得到钛[Ti η 5 -C 5我4 SiMeH（η 1 -N吨丁基）}我2 ] 10。配合物8也可以通过8与BCl 3的反应获得，而相同的反应是使用氯化剂（TiCl 4，盐酸盐）导致脱酰胺，得到2，将其也被转换成3与Bcl由反应3。所有这些新化合物都通过NMR光谱进行了表征，并通过X射线衍射法确定了2和4的分子结构。
• 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.