2,4,6,8,9,10-hexamethyl-1,3,5,7-tetraethyl-2,4,6,8,9,10-hexagallaadamantane | 439918-86-2

• 分子结构分类: 有机化合物
• 英文名称: 2,4,6,8,9,10-hexamethyl-1,3,5,7-tetraethyl-2,4,6,8,9,10-hexagallaadamantane
• 英文别名: (GaMe)6(CEt)4；1,3,5,7-tetraethyl-2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexagallatricyclo[3.3.1.13,7]decane
• CAS: 439918-86-2
• 化学式: C₁₈H₃₈Ga₆
• 分子量: 672.838
• InChiKey: PATITIRWHRKJHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• 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：

  二甲基镓氢化物 、 丙炔 以 neat (no solvent) 为溶剂， 以74%的产率得到2,4,6,8,9,10-hexamethyl-1,3,5,7-tetraethyl-2,4,6,8,9,10-hexagallaadamantane
  参考文献：
  名称：

  Hydrogallation of Alkynes:  Syntheses of Carbon−Gallium Cages Possessing Heteroadamantane Structures

  摘要：

  Treatment of the alkynes R'CdropCH (R' = Me, n-Pr) with dialkylgallium hydrides, R2GaH (R = Me, Et), yielded symmetrical carbon-gallium cage compounds with release of dihydrogen and subsequent addition of Ga-H to the CdropC triple bonds. Heteroadamantane-type compounds (GaR)(6)(CR')(4) were formed in which the positions of the methylene bridges of the carbon skeleton in adamantane were occupied by coordinatively unsaturated, tricoordinate gallium atoms.

  DOI：

  10.1021/om020072u