[2-Pyr(SiMe3)2C-Sb=C(SiMe3)-2-Pyr] | 250230-43-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [2-Pyr(SiMe3)2C-Sb=C(SiMe3)-2-Pyr]
• 英文别名: [2-C5H4N(Si(methyl)3)C]Sb[C(Si(CH3)3)2C5H4N]；[pyridin-2-yl-bis(trimethylsilyl)methyl]-[pyridin-2-yl(trimethylsilyl)methylidene]stibane
• CAS: 250230-43-4
• 化学式: C₂₁H₃₅N₂SbSi₃
• 分子量: 521.529
• InChiKey: RGFFYQIODCBEMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.23
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [2-Pyr(SiMe3)2C-Sb=C(SiMe3)-2-Pyr] 、 三乙基铟 以 正己烷 为溶剂， 以63%的产率得到[2-Pyr(SiMe3)2C-Sb(Et)-C(SiMe3)-2-Pyr-In(Et)2]
  参考文献：
  名称：

  Carbometalation of a Stiba-alkene Resulting in an In(III)/Sb(III) C-Centered Geminal Organodimetallic Complex

  摘要：

  The stiba-alkene nature of the red oil produced from the 2:1 reaction of [2-Pyr(SiMe3)(2)CLi.tmeda] (Pyr = C5H4N) with SbCl3 has been confirmed by mass spectrometry. The low-temperature addition of Et3In to a hexane solution of the stiba-alkene, [2-Pyr(SiMe3)(2)-CSb=C(SiMe3)2-Pyr], results in the first structurally authenticated In(III)/Sb(III) carbon-centered geminal organodimetallic complex, via carbometalation at the Sb=C double bond.

  DOI：

  10.1021/om990542t
• 作为产物：
  描述：

  (2-C5H4N)(Si(CH3)3)2CLi*TMEDA 以 乙醚 、 氘代甲苯 为溶剂， 生成 [2-Pyr(SiMe3)2C-Sb=C(SiMe3)-2-Pyr]
  参考文献：
  名称：

  Decomposition of [2-Pyr(SiMe₃)₂C]₂SbCl into the Stibaalkene [2-Pyr(SiMe₃)₂C−SbC(SiMe₃)2-Pyr]:  Solid, Solution, and ab Initio Study

  摘要：

  The disubstituted antimony chloride complex [2-Pyr(SiMe3)(2)C](2)SbCl (Pyr = C5H4N), formed from the 2:1 reaction of [2-Pyr(SiMe3)(2)CLi(.)tmeda] with SbCl3, readily decomposes into the stibaalkene species [2-Pyr(SiMe3)(2)CSb=C(SiMe3)2-Pyr] via eta-elimination of Me3SiCl. The stibaalkene species is an intensely colored, highly air and moisture sensitive, deep red oil. In thf solution the elimination of Me3SiCl occurs at temperatures ca. -40 degreesC; however, orange crystals of [2-Pyr(SiMe3)(2)C](2)SbCl were obtained from an Et2O solution maintained at -25 degreesC and the structure was determined by single-crystal X-ray diffraction. H-1 and C-13 NMR spectra of the crystals of [2-Pyr(SiMe3)(2)C](2)SbCl have been obtained in d(8)-toluene at -30 degreesC, and its decomposition to the stibaalkene was followed by recording spectra as the sample was warmed to 30 degreesC. DFT ab initio calculations have been conducted to investigate the role of the pyridyl groups in Me3SiCl elimination as well as the structure and stability of the final stibaalkene. These indicate that the formation of strong Sb-N bonds effectively localizes much of the double-bond character in a C=C rather than Sb=C bond, increasing its overall stability.

  DOI：

  10.1021/om034229+

文献信息

• Gallium(III)/Antimony(III) C-Centered <i>Geminal</i> Organodimetallic Complexes
  作者：Philip C. Andrews、Peter J. Nichols

  DOI：10.1021/om9910118

  日期：2000.4.1

  complex [2-Pyr(SiMe3)2]CSb(Me)C[2-Pyr(SiMe3)]Ga(Me)2} (Pyr = C5H4N), 2, which on heating eliminates CH4 to form a new Sb/Ga geminal organodimetallic complex adopting a structure with a distorted bicyclo[2.2.2]-type core, 3. Both complexes have been structurally authenticated by single-crystal X-ray diffraction; 2 is isostructural with its Al analogue in forming a bimetallic six-membered heterocycle,

  1,2-加成的Me 3嘎在THF到stiba烯烃物种[2-比利牛斯（森达3）2 CSB C（森达3）2比利牛斯]结果在混合锑/镓孪位C-中心organodimetallic复杂[2-Pyr（SiMe 3）2 ] CSB（Me）C [2-Pyr（SiMe 3）] Ga（Me）2 }（Pyr = C 5 H 4 N），2，加热后消除CH 4至形成新的SB / GA偕organodimetallic复杂采用具有扭曲的二环[2.2.2]型芯，结构3。两种配合物均已通过单晶X射线衍射进行了结构鉴定。2是同结构在形成双金属的六元杂环及其类似物的Al，而CH 4的-game之间消除2和Me 3在Si-基团2周的结果在该杂环由-Ga-CH桥接2 -Si-单元并形成新的复合体3。这两种复合物是手性的，具有2存在既是非对映体，R，S和S，R（空间群P 2 1 / Ñ），而3仅在R，R配置中找到空间组P 2 1