GaCl2(C6H3-2,6-(2,4,6-i-Pr3C6H2)2) | 191280-64-5

• 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: GaCl2(C6H3-2,6-(2,4,6-i-Pr3C6H2)2)
• 英文别名: [2,6-Bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dichlorogallane
• CAS: 191280-64-5
• 化学式: C₃₆H₄₉Cl₂Ga
• 分子量: 622.414
• InChiKey: ROKQQDOJKIQPQA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  11.93
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  二氯二茂钛 、 GaCl2(C6H3-2,6-(2,4,6-i-Pr3C6H2)2) 在 Na or Mg 作用下， 以 乙醚 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  Syntheses, Structures, and Bonding of Cp₂M(ER)₂ Compounds (Cp = C₅H₅; M = Ti, Zr; E = Ga, In; R = C₆H₃-2,6-(2,4,6-i-Pr₃C₆H₂)₂)

  摘要：

  Sodium or magnesium metal reduction Of Cp2MCl2 (Cp = C5H5; M = Zr, Ti) with RECl6 (E = Ga. In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)(2)) affords heteronuclear organometallic compounds, Cp2M(ER)(2), With new types of group 4-group 13 M-E bonds (Zr-Ga (1), Ti-Ga (2), Zr-In (3), Ti-In (4)). These compounds have been characterized by elemental analyses, H-1 and C-13 NMR spectroscopy, and single-crystal X-ray diffraction analyses. The structures of 1-4 have V-shaped E-M-E trimetallic linkages with quite short M-E bonds (Zr-Ga, 2.6350(8) angstrom; Ti-Ga, 2.492](7) angstrom; Zr-In, 2.7916(5) angstrom. Ti-In, 2.6685(8) angstrom). The transition metal (M = Zr. Ti) centers adopt a pseudo-tetrahedral coordination geometry, while the main group metal (E = Ga, In) atoms reside in a two-coordinate, almost linear environment. Density functional theory (DFT) computations oil the model compounds Cp2M(EPh)(2) (1Ph-4Ph) suggest significant pi-back-bonding from the group 4 metals (Zr, Ti) to the group 13 metals (Ga, In) in these compounds.

  DOI：

  10.1021/om050825n
• 作为产物：
  描述：

  以 正己烷 为溶剂， 以87%的产率得到GaCl2(C6H3-2,6-(2,4,6-i-Pr3C6H2)2)
  参考文献：
  名称：

  Characterization of 2,6-Trip2H3C6GaCl2, {2,6-Trip2H3C6InCl(μ-Cl)}2 and {2,6-Trip2H3C6GaCl(μ-OH)}2 (Trip = 2,4,6-triisopropylphenyl)

  摘要：

  标题化合物的光谱和结构表明，先前描述的类似物质可能在 Cl- 位置被 OH- 污染。

  DOI：

  10.1039/a904212a

文献信息

• Organometallic compounds containing new Hf–Ga and Hf–In bonds: Cp2Hf(ER)2 (Cp = C5H5; E = Ga, In; R = –C6H3-2,6-(2,4,6-i-Pr3C6H2)2)
  作者：Brandon Quillian、Yuzhong Wang、Pingrong Wei、Gregory H. Robinson

  DOI：10.1039/b718429h

  日期：——

  Sodium metal reduction of RECl2 (E = Ga, In; R = –C6H3-2,6-(2,4,6-i-Pr3C6H2)2) with Cp2HfCl2 gives Cp2Hf(ER)2 compounds, which represent the first Hf–E bonds.

  用Cp 2 HfCl 2还原RECl 2（E = Ga，In; R = –C 6 H 3 -2,6-（2,4,6 - i -Pr 3 C 6 H 2）2）的钠金属还原得到Cp 2个Hf（ER）2化合物，代表第一个Hf–E键。
• Synthesis and molecular structure of an unusual –Ga–Ga–Ga– linked organometallic
  作者：Xiao-Wang Li、Pingrong Wei、Brent C. Beck、Yaoming Xie、Henry F. Schaefer III、Jianrui Su、Gregory H. Robinson

  DOI：10.1039/a909451b

  日期：——

  Reaction of [(2,4,6-Pri3C6H2)2C 6H3]GaCl2 with P(SiMe3)3 affords the unusual organometallic compound [(2,4,6-Pri3C6H2)2C 6H3]GaH2PGa(H)PH2}G a[C6H3(C6H2- Pri3-2,4,6)2] 1 characterized by multinuclear NMR, complete (C, H, Ga and P) elemental analyses, IR spectroscopy and single crystal X-ray diffraction; 1 is significant as it contains a rare Ga–Ga–Ga [2.5145(13) and 2.7778(14) Å] linkage even as its formation is facilitated by the unusual stripping of the sterically demanding m-terphenyl ligand from the central gallium atom.

  的反应 [(2,4,6-Pri3 )2C 6H3]GaCl2 与 P(SiMe3)3 提供了不寻常的有机金属化合物 [(2,4,6-Pri3 )2C 6H3]GaH2PGa(H)PH2}G a[C6H3(C6H2- Pri3-2,4,6)2] 1 的特征在于 多核 NMR、完整（C、H、Ga 和 P）元素分析、IR 光谱学和单晶X射线衍射； 1 很重要，因为它 包含稀有的 Ga−Ga−Ga [2.5145(13) 和 2.7778(14) −] 即使其形成是通过不寻常的剥离促进的 来自中心的空间要求的间三联苯配体 镓原子。
• Synthesis of the Square-Planar Gallium Species K2[Ga4(C6H3-2,6-Trip2)2] (Trip=C6H2-2,4,6-iPr3): The Role of Aryl–Alkali Metal Ion Interactions in the Structure of Gallium Clusters
  作者：Brendan Twamley、Philip P. Power

  DOI：10.1002/1521-3773(20001002)39:19<3500::aid-anie3500>3.0.co;2-3

  日期：2000.10.2
• How Short is a -Ga⋮Ga- Triple Bond? Synthesis and Molecular Structure of Na₂[Mes*₂C₆H₃-Ga⋮Ga-C₆H₃Mes*₂] (Mes* = 2,4,6-<i>i</i>-Pr₃C₆H₂):  The First Gallyne
  作者：Jianrui Su、Xiao-Wang Li、R. Chad Crittendon、Gregory H. Robinson

  DOI：10.1021/ja9700562

  日期：1997.6.1