1,1-bis(di-tert-butylmethylsilyl)-2-(2,2,6,6-tetramethylpiperidino)-1-sila-2-boraethene | 874920-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,1-bis(di-tert-butylmethylsilyl)-2-(2,2,6,6-tetramethylpiperidino)-1-sila-2-boraethene
• 英文别名: (t-Bu2MeSi)2-silaborene(2,2,6,6-tetramethylpiperidine)；Ditert-butyl-[[ditert-butyl(methyl)silyl]-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidenesilyl]-methylsilane；ditert-butyl-[[ditert-butyl(methyl)silyl]-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidenesilyl]-methylsilane
• CAS: 874920-11-3
• 化学式: C₂₇H₆₀BNSi₃
• 分子量: 493.848
• InChiKey: AESBBPLIULWNCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.15
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,1-bis(di-tert-butylmethylsilyl)-2-(2,2,6,6-tetramethylpiperidino)-1-sila-2-boraethene 在 selenium 作用下， 以 四氢呋喃 为溶剂， 以93%的产率得到(t-Bu2MeSi)2-selenasilaborirane(2,2,6,6-tetramethylpiperidine)
  参考文献：
  名称：

  Thia- and Selenasilaboriranes and 1,3,2,4-Dioxasilaboretane from a Stable Silaborene

  摘要：

  Silaborene (1), R2Si=B(tmp) (R = SiMetBu2, tmp = 2,2,6,6-四甲基哌啶)，与元素硫和硒在 THF 中反应，得到新型三元环产物 thia- ( 2) 和硒化硼烷 (3)。相比之下，1 在 O2 气氛下氧化产生相应的四元环 1,3,2,4-dioxasilaboretane (4)。

  DOI：

  10.1246/cl.2007.662
• 作为产物：
  描述：

  二氯-(2,2,6,6-四甲基哌啶-1-基)硼烷 、 1,1-dilithiobis(di-tert-butylmethylsilyl)silane 以 甲苯 为溶剂， 以73%的产率得到1,1-bis(di-tert-butylmethylsilyl)-2-(2,2,6,6-tetramethylpiperidino)-1-sila-2-boraethene
  参考文献：
  名称：

  A Stable Silaborene:  Synthesis and Characterization

  摘要：

  A stable silicon-boron doubly bonded compound, silaborene (2), was synthesized by the reaction of 1,1-dilithiosilane (1) with dichloro(2,2,6,6-tetramethylpiperidino)borane in toluene. The X-ray crystallographic analysis of 2 revealed that the >Si=B-N< framework is almost linear (176.87(13) degrees ) with an Si-B bond length of 1.8379(17) A, which is about 10% shorter than typical Si-B single bonds. The silaborene 2 reacted with lithium trimethylsilylacetylide at 60 degrees C in DME to give the corresponding silaborenide (4-.[Li(dme)3]+), whose reddish-orange crystals were isolated as the solvent separated ion pair. The X-ray analysis of 4-.[Li(dme)3]+ showed that the Si-B bond length (1.933(3) A) is longer than that of 2, but still shorter than typical Si-B single bonds. These structural features indicate that 4- has double bond character involving the >Si=B<- resonance structure.

  DOI：

  10.1021/ja0570741