[2-C5H4N(Si(methyl)3)2C]2SbCl | 667463-24-3

• 英文名称: [2-C5H4N(Si(methyl)3)2C]2SbCl
• CAS: 667463-24-3
• 化学式: C₂₄H₄₄ClN₂SbSi₄
• 分子量: 630.172
• InChiKey: SJDGLJKNCPFCKH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [2-C5H4N(Si(methyl)3)2C]2SbCl 以 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+
• 作为产物：
  描述：

  三氯化锑 、 (2-C5H4N)(Si(CH3)3)2CLi*TMEDA 以 乙醚 为溶剂， 以28%的产率得到[2-C5H4N(Si(methyl)3)2C]2SbCl
  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+