| 1579998-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1579998-09-6
• 化学式: C₂₈H₄₅BiN₂Si
• 分子量: 646.745
• InChiKey: AWDFBXOKHUPPBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.72
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 triethylammonium tetraphenylborate 以 氘代苯 为溶剂， 反应 0.5h， 生成 C₃₂H₄₅BiN₂Si
  参考文献：
  名称：

  Low-Coordinate Bismuth Cations

  摘要：

  Chloride abstraction from the diamido-bismuth compound Bi(Me2Si{NAr}(2))Cl (1, Ar = 2,6-i-Pr2C6H3) using MCl3 (M = Al, Ga) is a facile route to cationic species. Stoichiometric reactions afford the tetrachlorometallate salts [Bi(Me2Si{NAr}(2))][MCl4] (2a, M = Al; 3a, M = Ga), whereas reaction with 0.5 equiv of the group 13 reagent gives the mu-chlorido bridged cations [{Bi(Me2Si{NAr}(2))}(2)(mu-Cl)][MCl4] (2b, M = Al; 3b, M = Ga). The crystal structure of 2a shows a formally two-coordinate bismuth cation, with a Bi center dot center dot center dot Cl contact to the [AlCl4](-) anion, whereas the structure of 3b shows a total of three Bi center dot center dot center dot Cl contacts to [GaCl4](-). Both species associate as {1:1}(2) dimers in the solid state through additional Bi center dot center dot center dot Cl interactions. Attempted preparation of cationic complexes using either NaBR4 (R = Ph, Et) or [HNEt3] [BPh4] compounds Bi(Me2Si{NAr}(2))R (4, R = Et; 5, R = Ph) were is were unsuccessful. Instead of forming the borate salts, the neutral isolated as a result of aryl/alkyl transfer from boron to bismuth.

  DOI：

  10.1021/ic500113g
• 作为产物：
  描述：

  Bismuth;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-dimethylsilyl]azanide;chloride 、 四乙基硼酸钠 以 甲苯 为溶剂， 反应 24.0h， 以63%的产率得到
  参考文献：
  名称：

  Low-Coordinate Bismuth Cations

  摘要：

  Chloride abstraction from the diamido-bismuth compound Bi(Me2Si{NAr}(2))Cl (1, Ar = 2,6-i-Pr2C6H3) using MCl3 (M = Al, Ga) is a facile route to cationic species. Stoichiometric reactions afford the tetrachlorometallate salts [Bi(Me2Si{NAr}(2))][MCl4] (2a, M = Al; 3a, M = Ga), whereas reaction with 0.5 equiv of the group 13 reagent gives the mu-chlorido bridged cations [{Bi(Me2Si{NAr}(2))}(2)(mu-Cl)][MCl4] (2b, M = Al; 3b, M = Ga). The crystal structure of 2a shows a formally two-coordinate bismuth cation, with a Bi center dot center dot center dot Cl contact to the [AlCl4](-) anion, whereas the structure of 3b shows a total of three Bi center dot center dot center dot Cl contacts to [GaCl4](-). Both species associate as {1:1}(2) dimers in the solid state through additional Bi center dot center dot center dot Cl interactions. Attempted preparation of cationic complexes using either NaBR4 (R = Ph, Et) or [HNEt3] [BPh4] compounds Bi(Me2Si{NAr}(2))R (4, R = Et; 5, R = Ph) were is were unsuccessful. Instead of forming the borate salts, the neutral isolated as a result of aryl/alkyl transfer from boron to bismuth.

  DOI：

  10.1021/ic500113g