| 872993-01-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• CAS: 872993-01-6
• 化学式: C₄₆H₇₀Ga₂
• 分子量: 762.508
• InChiKey: GAFKSOWQWFZEFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.36
• 重原子数：
  48.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  di(neopentyl)gallium hydride 、 1,4-bis(3,3-dimethyl-1-butynyl)benzene 以 正己烷 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  New Aspects of Hydrogallation Reactions with Alkynes:  Simple Addition versus Formation of Cyclophanes

  摘要：

  Treatment of 1,4-bis(3,3-dimethyl-1-butynyl)benzene C6H4(C C-CMe3)(2) with 2 equiv of diethylgallium hydride resulted in addition of one Ga-H bond to each triple bond of the starting compound. Whereas in that case products of secondary reactions could not be isolated, dineopentylgalliurn hydride afforded a [3,3]-cyclophane derivative with two bridging Ga-CH2-CMe3 groups, which may be derived from the simple addition product by condensation and release of trineopentylgallium. A cis-arrangement of Ga and H was observed in all cases.

  DOI：

  10.1021/om050776e