[Ga(η1-allyl)2(THF)2][B(C6F5)4] | 1356843-04-3

• 英文名称: [Ga(η1-allyl)2(THF)2][B(C6F5)4]
• CAS: 1356843-04-3
• 化学式: C₁₄H₂₆GaO₂*C₂₄BF₂₀
• 分子量: 975.125
• InChiKey: MUBCKLDZECXSRD-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

• 作为反应物：
  描述：

  异喹啉 、 [Ga(η1-allyl)2(THF)2][B(C6F5)4] 以 氘代四氢呋喃 为溶剂， 生成 [Ga(η1-allyl)2(isoquinoline)2][B(C6F5)4]
  参考文献：
  名称：

  Bis(allyl)gallium Cation, Tris(allyl)gallium, and Tetrakis(allyl)gallate: Synthesis, Characterization, and Reactivity

  摘要：

  A series of cationic, neutral, and anionic allylgallium complexes has been isolated and fully characterized. It includes neutral [Ga(eta(1)-C3H5)(3)(L)] (1, L = THF; 2, L = OPPh3), cationic [Ga(eta(1)-C3H5)(2)(THF)(2)](+)[A](-) (3, [A](-) = [B(C6F5)(4)]; 4, [A]- = [B(C6H3Cl2)(4)](-)), as well as anionic [Cat](+)[Ga(eta(1)-C3H5)(4)](-) (5, [Cat](+) = K+; 6, [Cat](+) = [K(dibenzo-18-c-6](+); 7, [Cat](+) = [PPh4](+)). Binding modes of the allyl ligand in solution and in the solid state have been studied comparatively. Single crystal X-ray analyses revealed a fourcoordinate neutral gallium center in 2, a five-coordinate cationic gallium center in 4 and [4.THF], and a four-coordinate anionic gallium center with a bridging mu(2)-eta(1):eta(2) coordination mode of the allyl ligand in 6. The reactivity of this series of allylgallium complexes toward benzophenone and N-heteroaromatics has been investigated. Counterion effects have also been studied. Reactions of 1 and 5 with isoquinoline revealed the first examples of organogallium complexes reacting under 1,2-insertion with pyridine derivatives.

  DOI：

  10.1021/ic202293t
• 作为产物：
  描述：

  Ga(η1-allyl)3(THF) 、 N,N-二甲基苯铵四(五氟苯基)硼酸盐 以 四氢呋喃 为溶剂， 以96%的产率得到[Ga(η1-allyl)2(THF)2][B(C6F5)4]
  参考文献：
  名称：

  Bis(allyl)gallium Cation, Tris(allyl)gallium, and Tetrakis(allyl)gallate: Synthesis, Characterization, and Reactivity

  摘要：

  A series of cationic, neutral, and anionic allylgallium complexes has been isolated and fully characterized. It includes neutral [Ga(eta(1)-C3H5)(3)(L)] (1, L = THF; 2, L = OPPh3), cationic [Ga(eta(1)-C3H5)(2)(THF)(2)](+)[A](-) (3, [A](-) = [B(C6F5)(4)]; 4, [A]- = [B(C6H3Cl2)(4)](-)), as well as anionic [Cat](+)[Ga(eta(1)-C3H5)(4)](-) (5, [Cat](+) = K+; 6, [Cat](+) = [K(dibenzo-18-c-6](+); 7, [Cat](+) = [PPh4](+)). Binding modes of the allyl ligand in solution and in the solid state have been studied comparatively. Single crystal X-ray analyses revealed a fourcoordinate neutral gallium center in 2, a five-coordinate cationic gallium center in 4 and [4.THF], and a four-coordinate anionic gallium center with a bridging mu(2)-eta(1):eta(2) coordination mode of the allyl ligand in 6. The reactivity of this series of allylgallium complexes toward benzophenone and N-heteroaromatics has been investigated. Counterion effects have also been studied. Reactions of 1 and 5 with isoquinoline revealed the first examples of organogallium complexes reacting under 1,2-insertion with pyridine derivatives.

  DOI：

  10.1021/ic202293t