Bismuth;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-dimethylsilyl]azanide;chloride | 1448797-98-5

• 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: Bismuth;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-dimethylsilyl]azanide;chloride
• CAS: 1448797-98-5
• 化学式: Bi*C₂₆H₄₀N₂Si*Cl
• 分子量: 653.136
• InChiKey: ITAFBUPTYGPJFW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  bismuth(III) chloride 、 Me2Si(DippNLi)2 以 四氢呋喃 为溶剂， 反应 3.0h， 以68%的产率得到Bismuth;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-dimethylsilyl]azanide;chloride
  参考文献：
  名称：

  Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth

  摘要：

  The chelating diamide [Me2Si{NAr}(2)](2-) (Ar = 2,6-i-Pr2C6H3) has been used as an ancillary ligand in antimony and bismuth chemistry. In contrast to the monomeric antimony chloride compound Sb(Me2Si{NAr}(2)) Cl (1a), the bismuth derivative (1b) exists as a trimer in the solid state, linked by Bi center dot center dot center dot(arene) pi-bonding and Bi center dot center dot center dot Cl interactions. Compounds 1a,b are used as an entry point into rare antimony and bismuth compounds incorporating Cp and Cp* ligands. Reactions of the chlorides with LiCp and KCp* afford the organometallic species E(Me2Si{NAr}(2))-(C5R5) (2a, R = H, E = Sb; 2b, R = H, E = Bi; 3a, R = Me, E = Sb; 3b, R = Me, E = Bi). Variable-temperature NMR experiments indicate different fluxional processes occur in solution involving facile haptotropic shifts of the [C5R5](-) ring. Structural characterization of 2b and 3a,b reveals monomeric compounds in which the cyclopentadienyl-derived ligand adopts a low hapticity in the solid state.

  DOI：

  10.1021/om400434f