1,2,3,4-tetramethyl-5-(dimethylphenylsilyl)cyclopenta-1,3-diene | 127793-19-5

• 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: 1,2,3,4-tetramethyl-5-(dimethylphenylsilyl)cyclopenta-1,3-diene
• 英文别名: 1-(Dimethylphenylsilyl)-2,3,4,5-tetramethylcyclopentadien；dimethyl(phenyl)silyl-tetramethylcyclopentadiene；Dimethyl(phenyl)(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane；dimethyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• CAS: 127793-19-5
• 化学式: C₁₇H₂₄Si
• 分子量: 256.463
• InChiKey: ZSGPKALKSUCVBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 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：

  thallium (I) ethoxide 、 1,2,3,4-tetramethyl-5-(dimethylphenylsilyl)cyclopenta-1,3-diene 以 not given 为溶剂， 生成 dimethyl(phenyl)silyl-tetramethylcyclopentadienylthallium(I)
  参考文献：
  名称：

  Schumann, Herbert, Pure and Applied Chemistry, 1991, vol. 63, p. 813 - 820

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3,4-四甲基-1,3-环戊二烯 、 苯基二甲基氯硅烷 在 正丁基锂 作用下， 以 正己烷 、 四氢呋喃 为溶剂， 以84%的产率得到1,2,3,4-tetramethyl-5-(dimethylphenylsilyl)cyclopenta-1,3-diene
  参考文献：
  名称：

  Synthesis and crystal structures of thermally stable titanocenes

  摘要：

  Reduction of fully substituted titanocene dichlorides [TiCl2(eta(5)-C5Me4R)(2)] (R = SiMe2CH2CH2Ph, 3; SiMe2Ph, 4; and SiMePh2, 5) with magnesium in THF proceeds via the formation of titanocene monochlorides [TiCl(eta(5)-C5Me4R)(2)] 6-8 to afford monomeric titanocenes, [Ti(eta(5)-C5Me4R)(2)], 9-11. Titanocene monochlorides give the expected EPR spectra in toluene solution and glass. The structure of 7 was further corroborated by single-crystal X-ray diffraction. Titanocenes 9-11 are EPR silent down to -196 degreesC but exhibit paramagnetic broadening of the signals in solution NMR spectra. The positions of the NMR signals are temperature-dependent, obeying the Curie Law in the range investigated (0-60 degreesC). As revealed by X-ray crystallography, titanocenes 9 and 11 possess bent metallocene structures with the cyclopentadienyl rings tilted at an angle of 9.8(l) and 14.4(2)degrees, respectively. Titanocenes 9-11 are easily oxidized with PbCl2 to the parent dichloride complexes 3-5. Titanocenes 9 and 10 react with bis(trimethylsilyl)ethyne (btmse) only in large excess of the alkyne to give an equilibrium concentration of the respective [Ti(eta(5)-C5Me4R)(2)(eta(2)-Me3SiC drop CSiMe3)] complexes. On the other hand, titanocene 11 does not observably react with btmse. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01726-6

文献信息

• Synthesis and Characterization of a Tetranuclear Hydride Cluster of Yttrium [{(η⁵‐C₅Me₄SiMe₃)Y}₄(μ‐H)₄(μ₃‐H)₄(THF)₂]
  作者：Kai C. Hultzsch、Peter Voth、Thomas P. Spaniol、Jun Okuda

  DOI：10.1002/zaac.200300063

  日期：2003.7

  Hydrogenolysis of the dialkyl complexes [Y(η⁵‐C₅Me₄SiMe₂R)(CH₂SiMe₃)₂(THF)] (1a, R = Me; 1b, R = Ph) results in the formation of the tetranuclear dihydrido complexes [(η⁵‐C₅Me₄SiMe₂R)Y}₄(μ‐H)₄(μ₃‐H)₄(THF)₂] (2a, R = Me; 2b, R = Ph), characterized by NMR spectroscopy. 2a was studied by single crystal X‐ray diffraction. In the solid state, an unsymmetrical tetrahedral configuration of four [Y(η⁵‐C₅Me₄SiMe₃)] units is observed, two of which contain each one molecule of THF. Each yttrium atom is bonded to two μ₂‐ as well as three μ₃‐bridging hydrido ligands.

  摘要氢解二烷基络合物 [Y(η5-C5Me4SiMe2R)(CH2SiMe3)2(THF)]（1a，R = Me；1b，R = Ph），从而形成四核二氢配合物[(η5-C5Me4SiMe2R)Y}4(μ-H)4(μ3-H)4(THF)2]（2a，R = Me；2b，R = Ph），并通过核磁共振光谱进行表征。对 2a 进行了单晶 X 射线衍射研究。在固态下，观察到由四个[Y(η5-C5Me4SiMe3)]单元组成的非对称四面体构型，其中两个单元各含有一分子 THF。每个钇原子都与两个 μ2- 和三个 μ3 桥接的氢化物配位体结合。
• Schumann, Herbert; Kucht, Homa; Dietrich, Andreas, Chemische Berichte, 1990, vol. 123, # 9, p. 1811 - 1816
  作者：Schumann, Herbert、Kucht, Homa、Dietrich, Andreas、Esser, Lothar

  DOI：——

  日期：——
• Half-Sandwich Alkyl and Hydrido Complexes of Yttrium: Convenient Synthesis and Polymerization Catalysis of Polar Monomers
  作者：Kai C. Hultzsch、Thomas P. Spaniol、Jun Okuda

  DOI：10.1002/(sici)1521-3773(19990115)38:1/2<227::aid-anie227>3.0.co;2-m

  日期：1999.1.15
• Schumann, Herbert, Pure and Applied Chemistry, 1991, vol. 63, p. 813 - 820
  作者：Schumann, Herbert

  DOI：——

  日期：——
• Synthesis and crystal structures of thermally stable titanocenes
  作者：Lenka Lukešová、Michal Horáček、Petr Štěpnička、Karla Fejfarová、Róbert Gyepes、Ivana Cı́sařová、Jiřı́ Kubišta、Karel Mach

  DOI：10.1016/s0022-328x(02)01726-6

  日期：2002.12

  Reduction of fully substituted titanocene dichlorides [TiCl2(eta(5)-C5Me4R)(2)] (R = SiMe2CH2CH2Ph, 3; SiMe2Ph, 4; and SiMePh2, 5) with magnesium in THF proceeds via the formation of titanocene monochlorides [TiCl(eta(5)-C5Me4R)(2)] 6-8 to afford monomeric titanocenes, [Ti(eta(5)-C5Me4R)(2)], 9-11. Titanocene monochlorides give the expected EPR spectra in toluene solution and glass. The structure of 7 was further corroborated by single-crystal X-ray diffraction. Titanocenes 9-11 are EPR silent down to -196 degreesC but exhibit paramagnetic broadening of the signals in solution NMR spectra. The positions of the NMR signals are temperature-dependent, obeying the Curie Law in the range investigated (0-60 degreesC). As revealed by X-ray crystallography, titanocenes 9 and 11 possess bent metallocene structures with the cyclopentadienyl rings tilted at an angle of 9.8(l) and 14.4(2)degrees, respectively. Titanocenes 9-11 are easily oxidized with PbCl2 to the parent dichloride complexes 3-5. Titanocenes 9 and 10 react with bis(trimethylsilyl)ethyne (btmse) only in large excess of the alkyne to give an equilibrium concentration of the respective [Ti(eta(5)-C5Me4R)(2)(eta(2)-Me3SiC drop CSiMe3)] complexes. On the other hand, titanocene 11 does not observably react with btmse. (C) 2002 Elsevier Science B.V. All rights reserved.