| 1225383-05-0

• CAS: 1225383-05-0
• 化学式: C₂₉H₅₆I₄N₈Zn₄
• 分子量: 1286.0
• InChiKey: ZMJFFDGQKRVOIK-UHFFFAOYSA-J

计算性质

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

反应信息

• 作为产物：
  描述：

  tetrazinc;[C-[1,3-bis(propan-2-ylazanidyl)-1,3-bis(propan-2-ylimino)-2-(N-propan-2-yl-C-propan-2-ylazanidylcarbonimidoyl)propan-2-yl]-N-propan-2-ylcarbonimidoyl]-propan-2-ylazanide;carbanide 、 碘化铝 以 乙醚 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes

  摘要：

  Polynuclear amidinate zinc halide complexes of the general type{C[C(Ni-Pr)(2)ZnX](4)} [X = Cl, 2; Br, 3; 1,4] were prepared in high yields via methyl/halide exchange reaction of IC[C(Ni-Pr)(2)ZnMe](4)} (1a) with AlX3. 2-4 were characterized by elemental analysis, multinuclear NMR, and ER spectroscopy and single-crystal X-ray diffraction. Computational calculations of halide-substituted complexes IC[C(Ni-Pr)2ZnX]41 [X = F-1] were performed to clarify the influence of the halide atom on the structural parameters of the complexes and to elucidate their electronic structure and bonding situation. The capability of these halide-substituted complexes to serve as suitable starting reagents for further salt elimination reactions was proven by reaction of 2 with LiR (R = Me, n-Bu) and EtMgBr, which yielded the corresponding Zn-alkyl species {C[C(Ni-Pr)(2)ZnR](4)} [R = Me, 1a; n-Bu, 5; Et, 6].

  DOI：

  10.1021/om100065w