dimethyldecylgallium | 438586-58-4

• 分子结构分类: 有机化合物
• 英文名称: dimethyldecylgallium
• CAS: 438586-58-4
• 化学式: C₁₂H₂₇Ga
• 分子量: 241.069
• InChiKey: WJQXGXBUFWHMRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.88
• 重原子数：
  13.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  Diethylborane 、 正癸烯 、 三甲基镓 以 further solvent(s) 为溶剂， 以85%的产率得到dimethyldecylgallium
  参考文献：
  名称：

  Mechanism of the Stereoselective Alkyl Group Exchange between Alkylboranes and Alkylzinc Compounds. Quest for Novel Types of Boron−Metal Exchange Reactions

  摘要：

  The mechanism of the boron-zinc exchange reaction has been studied by applying density functional calculations at the B3PW91 level of theory. It was found that the exchange reaction proceeds with a low activation barrier, involving two intermediates with unusual bonding structures. The metal-carbon bonding in these intermediates ensures a highly stereoselective exchange process, which can be employed in asymmetric organometallic synthesis. On the basis of the theoretical results we predict that organogallium and organoindium compounds can also be generated by alkyl exchange reactions from organoboranes.

  DOI：

  10.1021/om020083n