((Me3Si)2CH)2((Me3Si)3C)C6H2SnC5H6(Br) | 1254037-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ((Me3Si)2CH)2((Me3Si)3C)C6H2SnC5H6(Br)
• 英文别名: BbtSnC5H6(Br)
• CAS: 1254037-03-0
• 化学式: C₃₅H₇₃BrSi₇Sn
• 分子量: 889.177
• InChiKey: PFMUKLDFQNZHCX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.38
• 重原子数：
  44.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  ((Me3Si)2CH)2((Me3Si)3C)C6H2SnC5H6(Br) 在 LiN(CH(CH₃)2)2 作用下， 以 正己烷 为溶剂， 以99%的产率得到[((Me3Si)2CH)2((Me3Si)3C)C6H2Sn]2C10H10
  参考文献：
  名称：

  Generation of Stannabenzenes and Their Properties

  摘要：

  Stannabenzenes 3, neutral stannaaromatic compounds having the simplest aromatic unit, were successfully generated by the reaction of the corresponding bromostannanes 5-Br with diisopropylamide mm, hexane at -40 degrees C. The generation of 3 was indicated by the formation of the [4 + 2] dimer 6 at room temperature. The thermal stability of 3 was completely different from that of the sila- and germabenzenes bearing the same substituent. The structural and electronic properties of stannabenzene were estimated by theoretical calculations.

  DOI：

  10.1021/om100382n
• 作为产物：
  描述：

  N-溴代丁二酰亚胺(NBS) 、 ((Me3Si)2CH)2((Me3Si)3C)C6H2SnC5H6(H) 以 苯 为溶剂， 以88%的产率得到((Me3Si)2CH)2((Me3Si)3C)C6H2SnC5H6(Br)
  参考文献：
  名称：

  Generation of Stannabenzenes and Their Properties

  摘要：

  Stannabenzenes 3, neutral stannaaromatic compounds having the simplest aromatic unit, were successfully generated by the reaction of the corresponding bromostannanes 5-Br with diisopropylamide mm, hexane at -40 degrees C. The generation of 3 was indicated by the formation of the [4 + 2] dimer 6 at room temperature. The thermal stability of 3 was completely different from that of the sila- and germabenzenes bearing the same substituent. The structural and electronic properties of stannabenzene were estimated by theoretical calculations.

  DOI：

  10.1021/om100382n