| 180310-89-8

• CAS: 180310-89-8
• 化学式: C₂₉H₃₆GaN
• 分子量: 468.335
• InChiKey: PWIKDXNNTCYPPN-UHFFFAOYSA-N

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：

  乙腈 、 GaMes3 以 乙腈 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  π-Electron−Cesium Interactions in Cesium Triorganofluorometalates

  摘要：

  The reaction of MMes(3) (M = Ga, In; Mes = 2,4,6-Me(3)C(6)H(2)) with CsF in acetonitrile yields the trimesitylfluorometalates [{Cs(MeCN)(2)}{Mes(3)MF}](2) . 2MeCN([1](2) . 6MeCN, M = Ga; [2](2) . 6MeCN, M = In). Ga(CH(2)Ph)(3) gives with CsF under the same conditions the salt [Cs{(PhCH(2))(3)GaF}](2) . 2MeCN ([3](2) . 2MeCN). The treatment of 1 equiv CsF with 2 equiv of GaMes(3) does not lead to Cs[Mes(3)GaFGaMes(3)] but to [1](2) . 6MeCN and the adduct [Mes(3)Ga(MeCN)] (4). [1](2) . 6MeCN-4 have been characterized by NMR, IR, and MS techniques as well as by X-ray analyses. [1](2) . 6MeCN and [2](2) . 6MeCN are solvated ion pairs in acetonitrile, while [3](2) . 2MeCN shows a monomer-dimer equilibrium. According to the X-ray structure determinations, [1](2) . 6MeCN and [2](2) . 6MeCN are isostructural and contain Cs-F four-membered rings. The fluorine centers at the rings are bound to the metallane groups. Each cesium cation is coordinated by two molecules of acetonitrile and by one mesityl group in a eta(3)-fashion. The basic structural feature of [3](2) . 2MeCN is also a Cs-F four-membered ring; however, the cations in [3](2) . 2MeCN are surrounded by three phenyl groups of the benzyl substituents. The three eta(6)-bound phenyl rings are contributed from two different metallane units. 4 possesses a distorted tetrahedral coordination sphere with a low pyramidalization of the Ga center (angular sum: 355 degrees).

  DOI：

  10.1021/om960220e