neopentylgallium(I) | 156489-15-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: neopentylgallium(I)
• CAS: 156489-15-5
• 化学式: C₅H₁₁Ga
• 分子量: 140.865
• InChiKey: NSUUHEMITLLFPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 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

• 作为反应物：
  描述：

  neopentylgallium(I) 在 HCl 作用下， 以 四氢呋喃 为溶剂， 以50.2-82.3的产率得到dineopentylgalliumchloride
  参考文献：
  名称：

  Low Oxidation State Gallium Compounds Synthesis and Characterization of [Ga(CH2CMe3)]n

  摘要：

  The new organogallium(I) compound [Ga(CH2CMe3)]n has been prepared by the reduction of Ga(CH2CMes)2CI by using either sodium or lithium with naphthalene in THF. When the reagents were combined at -78-degrees-C, a yellow intermediate, a neopentylgallium(III) derivative of dihydronaphthalene C10H8[Ga(CH2CMe3)2]2.2MCl (M = Li, Na) was formed. Warming of the solution to 0-25-degrees-C resulted in decomposition of the yellow intermediate and formation of a reddish brown solution of [Ga(CH2CMe3)]n, Ga(CH2CMe3)3, C10H8, and either NaCl or LiCl. The gallium(I) product was a vitreous solid and was characterized by complete elemental analyses, hydrolyses with HCl/H2O and with DCl/D2O, oxidation with HgCl2 and with I2, cryoscopic molecular weight studies in benzene solution, and IR and NMR spectroscopic studies. All data support the conclusion that [Ga(CH2CMe3)]n exists as a mixture of species which are gallium cages. The numbers of gallium atoms in these cages might range from 6 to 12 atoms.

  DOI：

  10.1021/om00019a051
• 作为产物：
  描述：

  dineopentylgalliumchloride 在 Li/naphthalene 作用下， 以 四氢呋喃 为溶剂， 生成 trineopentyl gallium 、 neopentylgallium(I)
  参考文献：
  名称：

  Low Oxidation State Gallium Compounds Synthesis and Characterization of [Ga(CH2CMe3)]n

  摘要：

  The new organogallium(I) compound [Ga(CH2CMe3)]n has been prepared by the reduction of Ga(CH2CMes)2CI by using either sodium or lithium with naphthalene in THF. When the reagents were combined at -78-degrees-C, a yellow intermediate, a neopentylgallium(III) derivative of dihydronaphthalene C10H8[Ga(CH2CMe3)2]2.2MCl (M = Li, Na) was formed. Warming of the solution to 0-25-degrees-C resulted in decomposition of the yellow intermediate and formation of a reddish brown solution of [Ga(CH2CMe3)]n, Ga(CH2CMe3)3, C10H8, and either NaCl or LiCl. The gallium(I) product was a vitreous solid and was characterized by complete elemental analyses, hydrolyses with HCl/H2O and with DCl/D2O, oxidation with HgCl2 and with I2, cryoscopic molecular weight studies in benzene solution, and IR and NMR spectroscopic studies. All data support the conclusion that [Ga(CH2CMe3)]n exists as a mixture of species which are gallium cages. The numbers of gallium atoms in these cages might range from 6 to 12 atoms.

  DOI：

  10.1021/om00019a051