| 1271739-81-1

• CAS: 1271739-81-1
• 化学式: AlCl₄*C₂₉H₄₁N₂Sn
• 分子量: 705.161
• InChiKey: BGMAUUFFHAUADV-WNNZKXAMSA-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：

  三氯化铝 、 (BDI)SnCl 以 二氯甲烷 为溶剂， 以33%的产率得到
  参考文献：
  名称：

  Low-Coordinate Tin and Lead Cations

  摘要：

  A series of low-coordinate tin and lead cationic complexes have been synthesized using the bulky beta-diketiminate ligand [{N(2,6-'Pr2C6H3)C(Me)}(2)CH](-) (BDI) to stabilize the metal center. Two different routes to [(BDI)Sn](+) - [X](-) and [(BDI)Pb](+) [X](-) were explored (X = B(C6F5)(4), AlCl4, MeB(C6F5)(3)): abstraction of the chloride with a Lewis acid from (BDI)SnCl and (BDI)PbCl and abstraction of a methyl group with a borane from (BDI)SnMe and (BDI)PbMe. The crystal structures of the tin and lead cations were determined; in both, solvent molecules were found to coordinate to the metal center. In the case of [(BDI)Pb](+)-[B(C6F5)(4)](-), a dichloromethane molecule was found. Density functional theory (DFT) calculations showed that this could be due to crystal packing. In the case of [(BDI)Sn](+)[MeB-(C6F5)(3)](-), an ether molecule was coordinated to the tin metal center. DFT calculations revealed a significant energy gain for the coordinated ether as opposed to the free molecules.

  DOI：

  10.1021/om100712a