trimethyl-[(E)-pent-1-en-3-ynyl]silane | 143521-47-5

• 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: trimethyl-[(E)-pent-1-en-3-ynyl]silane
• CAS: 143521-47-5
• 化学式: C₈H₁₄Si
• 分子量: 138.285
• InChiKey: QWWOZFBXQUKFHZ-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.44
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [RuHCl(CO)(PPh₃)₃] 、 trimethyl-[(E)-pent-1-en-3-ynyl]silane 以 四氢呋喃 为溶剂， 以>99的产率得到
  参考文献：
  名称：

  Half-way coordination state of a butadienyl group on ruthenium. η3-Allylic bonding with η1-character or vice versa

  摘要：

  The butadienyl complexes formed by the reaction of trans-(R1)CH = CHC = CR2 (R1, R2 = SiMe3, (t)Bu, Me, Et) with RuCl(CO)H(PPh3)3 exhibit unique structures: instead of taking the 18-electron configuration of the metal by conventional eta(3)-coordination of the butadienyl ligand, they shift significantly to the 16-electron eta(1)-coordination state.

  DOI：

  10.1016/0022-328x(92)83276-n

文献信息

• Some organometallic chemistry of ruthenium(II)
  作者：Yasuo Wakatsuki、Hiroshi Yamazaki

  DOI：10.1016/0022-328x(95)00525-u

  日期：1995.9

  Stoichiometric and catalytic reaction of Ru(II) phosphine complexes with alkynes, olefins, and enynes are described. The hydride complex RuCl(CO)H(PPh3)3 (1) reacts with the double bond of a cis-enyne whereas it reacts with triple bonds of trans-enynes. Metathesis of vinyl silanes with olefins are catalyzed by 1 where β-Si elimination is the key step. Dimerizations of tBu- and Me3Si-substituted acetylanes

  描述了Ru（II）膦配合物与炔烃，烯烃和烯炔的化学计量和催化反应。氢化物配合物RuCl（CO）H（PPh 3）3（1）与顺式-炔烃的双键反应，而与反式-炔烃的三键反应。1催化乙烯基硅烷与烯烃的复分解，其中β-Si的消除是关键步骤。的Dimerizations吨BU-和Me 3通过分离中间体研究的Ru（II）活性物质可将Si取代的乙炔转化为相应的丁烯。从头算-MO计算已完全模拟了催化循环关键步骤的模型反应，即由乙炔形成Ru亚乙烯基络合物。
• Half-way coordination state of a butadienyl group on ruthenium. η3-Allylic bonding with η1-character or vice versa
  作者：Yasuo Wakatsuki、Hiroshi Yamazaki、Yooichiroh Maruyama、Isao Shimizu

  DOI：10.1016/0022-328x(92)83276-n

  日期：1992.6

  The butadienyl complexes formed by the reaction of trans-(R1)CH = CHC = CR2 (R1, R2 = SiMe3, (t)Bu, Me, Et) with RuCl(CO)H(PPh3)3 exhibit unique structures: instead of taking the 18-electron configuration of the metal by conventional eta(3)-coordination of the butadienyl ligand, they shift significantly to the 16-electron eta(1)-coordination state.