tribenzylgallium | 18797-34-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tribenzylgallium
• CAS: 18797-34-7
• 化学式: C₂₁H₂₁Ga
• 分子量: 343.121
• InChiKey: UGTJJCIDEXXVQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  tribenzylgallium 在 O₂ 作用下， 以 甲苯 为溶剂， 以97%的产率得到
  参考文献：
  名称：

  Neumueller, Bernhard; Gahlmann, Frank, Chemische Berichte, 1993, vol. 126, # 7, p. 1579 - 1586

  摘要：

  DOI：
• 作为产物：
  描述：

  氯化镓 、 苄基氯化镁 以 乙醚 为溶剂， 以79%的产率得到tribenzylgallium
  参考文献：
  名称：

  Neumueller, Bernhard; Gahlmann, Frank, Chemische Berichte, 1993, vol. 126, # 7, p. 1579 - 1586

  摘要：

  DOI：

文献信息

• Synthese und Eigenschaften von Benzylgallium(indium)-Verbindungen. Die Kristallstrukturen von [(PhCH₂)₂GaBr]₂, [(PhCH₂)₂GaN(H)t-Bu]₂ und [PhCH₂InCl₂(THF)₂] / Synthesis and Properties of Benzylgallium(indium) Compounds. The Crystal Structures of [(PhCH₂)₂GaBr]₂, [(PhCH₂)₂GaN(H)t-Bu]₂ and [PhCH₂InCl₂(THF)₂]
  作者：Thomas Kräuter、Bert Werner、Bernhard Neumüller

  DOI：10.1515/znb-1996-0504

  日期：1996.5.1

  (PhCH2)2GaBr (1) can be obtained by the redistribution reaction of GaBr3 with Ga(CH2Ph)3 in a molar ratio 1:2. Treatment of 1 or (PhCH2)2GaCl with one equivalent of LiN(H)t-Bu gives the diorganogallium amide [(PhCH2)2GaN(H)t-Bu]2 (2). The toluene-insoluble PhCH2InCl2 can be structurally investigated after dissolving in THF and crystallization as [PhCH2InCl2(THF)2] (3). 1 - 3 were characterized with

  (PhCH2)2GaBr (1) 可通过 GaBr3 与 Ga(CH2Ph)3 以 1:2 的摩尔比进行再分布反应得到。用一当量的 LiN(H)t-Bu 处理 1 或 (PhCH2)2GaCl 得到二有机镓酰胺 [(PhCH2)2GaN(H)t-Bu]2 (2)。不溶于甲苯的 PhCH2InCl2 可以在溶解在 THF 中并结晶为 [PhCH2InCl2(THF)2] (3) 后进行结构研究。1-3用NMR、IR和MS技术以及通过X-射线结构测定表征。1 形成两个晶体学独立的二聚体，而 2 是固态的中心对称二聚体。3是在铟中心具有三角-双锥体配位球体的单体。
• π-Electron−Cesium Interactions in Cesium Triorganofluorometalates
  作者：Bert Werner、Thomas Kräuter、Bernhard Neumüller

  DOI：10.1021/om960220e

  日期：1996.8.20

  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).
• Neumueller, Bernhard; Gahlmann, Frank, Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Neumueller, Bernhard、Gahlmann, Frank

  DOI：——

  日期：——
• Kopp, Mike R.; Neumueller, Bernhard, Zeitschrift fur Anorganische und Allgemeine Chemie, 1997, vol. 623, # 5, p. 796 - 804
  作者：Kopp, Mike R.、Neumueller, Bernhard

  DOI：——

  日期：——
• Chirale Gallium- und Indium-Alkoxometallate
  作者：Jochen Pauls、Soheila Chitsaz、Bernhard Neumüller

  DOI：10.1002/1521-3749(200009)626:9<2028::aid-zaac2028>3.0.co;2-9

  日期：2000.9

  Li-2(S)-BINOLate ((S)-BINOL = (S)-(-)-2,2'-Dihydroxy-1,1'-binaphthyl) generated by dilithiation of (S)-BINOL with two equivalents (BuLi)-Bu-n was reacted with GaCl3 und InCl3 in THF to the alkoxometalates [Li(THF)(2)}Li(THF)}(2)Ga((S)-BINOLate)(3)}] (1) and [Li(THF)(2)}(2)Li(THF)}In((S)-BINolate)(3))] . [Li(THF)(2)}Li(THF)}(2)In((S)-BINOLate)(3)}](2) (3), respectively. 1 and 3 crystallize from THF/toluene mixtures as 1 . 2 toluene and 3 . 8 toluene. The treatment of PhCH2GaCl2 with Li-2(S)-BINOLate in THF under reflux, followed by recrystallization of the product from DME gives the gallate [Li(DME)}(3)Ga((S)-BINOLate)(3)}] . 1.5 THF (2 . 1.5 THF). 1-3 were characterized by NMR, IR and MS techniques. In addition, 1 . 2 toluene, 2 . 1.5 THF and 3 . 8 toluene were investigated by X-ray structure analyses. According to them, a distorted octahedral coordination sphere around the group 13 metal was formed, built-up by three BINOLate ligands. The three Li+ counter ions act as bridging units by metal-oxygen coordination. The coordination sphere of the Li+ ions was completed, depending on the available space, by one or two THF ligands (1 . 2 toluene, 3 . 8 toluene) and one DME ligand (2 . 1.5 THF), respectively. The sterical dominance of the BINOLate ligands can be shown by the almost square-planar coordination of the Li+ ions in 2 . 1.5 THF giving a small twisting angle of only 17 degrees.