benzylgallium dichloride | 304854-91-9

• 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: benzylgallium dichloride
• CAS: 304854-91-9
• 化学式: C₇H₇Cl₂Ga
• 分子量: 231.762
• InChiKey: VCUOOXYBQPXLMC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  四氢呋喃 、 乙二醇二甲醚 、 benzylgallium dichloride 、 (S)-(-)-2,2'-dihydroxy-1,1'-binaphthyl 以 四氢呋喃 为溶剂， 以80%的产率得到[(Li(DME))3(Ga((S)-(-)-2,2'-dihydroxy-1,1'-binaphtylate)3)]*1.5THF
  参考文献：
  名称：

  Chirale Gallium- und Indium-Alkoxometallate

  摘要：

  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.

  DOI：

  10.1002/1521-3749(200009)626:9<2028::aid-zaac2028>3.0.co;2-9
• 作为产物：
  描述：

  tribenzylgallium 、 氯化镓 以 甲苯 为溶剂， 以99%的产率得到benzylgallium dichloride
  参考文献：
  名称：

  Chirale Gallium- und Indium-Alkoxometallate

  摘要：

  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.

  DOI：

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