GaCl₂[C₄H₂N(2-CH₂NH^tBu)(5-CH₂NMe₂)] | 1476157-70-6

• 英文名称: GaCl₂[C₄H₂N(2-CH₂NH^tBu)(5-CH₂NMe₂)]
• CAS: 1476157-70-6
• 化学式: C₁₂H₂₂Cl₂GaN₃
• 分子量: 348.956
• InChiKey: ABMIRCUBJWYDDY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  GaCl₂[C₄H₂N(2-CH₂NH^tBu)(5-CH₂NMe₂)] 、 甲基锂 以 乙醚 为溶剂， 反应 5.0h， 生成 GaMe₂[C₄H₂N(2-CH₂NH^tBu)(5-CH₂NMe₂)]
  参考文献：
  名称：

  Synthesis and structural aspects of gallium compounds containing tridentate pincer type pyrrolyl ligands: Intramolecular hydrogen bonding of gallium aryloxides

  摘要：

  A series of gallium derivatives incorporating with pincer type tridentate symmetric and asymmetric pyrrolyl ligands are conveniently synthesized. Compilation of a symmetrical tridentate pyrrole ligand, [C4H2NH-(2,5-(CH2NHBu)-Bu-t)(2)] (1) with one equiv of n-BuLi in heptane generates lithiated 1 that turns to Ga [C4H2N-(2,5-(CH2NHBu)-Bu-t)(2)]Cl-2 (2) subjecting the addition of GaCl3/ether suspension into diethyl ether. Reacting 2 with two equiv of lithium reagents (LiR) in same solvent originates a series of gallium compounds Ga[C4H2N-(2,5-(CH2NHBu)-Bu-t)(2)]R-2 (3, R = Me; 4, R = O-C6H4-4-Me; 5, R = O-C6H3-2,6-Me-2) in moderate yield through metathesis reactions. Furthermore, the combination of a tridentate asymmetrical pyrrole ligand, [C4H2NH(2-(CH2NHBu)-Bu-t)(5-CH2NMe2)] and n-BuLi initiates the lithiated 6 that undergoes the formation of a penta-coordinated gallium compound GaCl2[C4H2N(2-(CH2NHBu)-Bu-t)(5-CH2NMe2)] (7) while reacting with GaCl3. Furthermore, reacting 7 with two equivs of MeLi affords the gallium-alkyl compound, GaMe2[C4H2N(2-(CH2NHBu)-Bu-t)(5-CH2NMe2)] (8) in high yield. The Ga-derivatives are characterized by H-1 and C-13 NMR spectroscopy and the molecular structures of 2, 3, 4, 5 and 7 are determined by single crystal X-ray diffractometry in solid state. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.012
• 作为产物：
  描述：

  gallium(III) trichloride 、 C4H2NH(2-CH2NHtBu)(5-CH2NMe2) 在 正丁基锂 作用下， 以 正庚烷 、 乙醚 为溶剂， 反应 5.0h， 以84%的产率得到GaCl₂[C₄H₂N(2-CH₂NH^tBu)(5-CH₂NMe₂)]
  参考文献：
  名称：

  Synthesis and structural aspects of gallium compounds containing tridentate pincer type pyrrolyl ligands: Intramolecular hydrogen bonding of gallium aryloxides

  摘要：

  A series of gallium derivatives incorporating with pincer type tridentate symmetric and asymmetric pyrrolyl ligands are conveniently synthesized. Compilation of a symmetrical tridentate pyrrole ligand, [C4H2NH-(2,5-(CH2NHBu)-Bu-t)(2)] (1) with one equiv of n-BuLi in heptane generates lithiated 1 that turns to Ga [C4H2N-(2,5-(CH2NHBu)-Bu-t)(2)]Cl-2 (2) subjecting the addition of GaCl3/ether suspension into diethyl ether. Reacting 2 with two equiv of lithium reagents (LiR) in same solvent originates a series of gallium compounds Ga[C4H2N-(2,5-(CH2NHBu)-Bu-t)(2)]R-2 (3, R = Me; 4, R = O-C6H4-4-Me; 5, R = O-C6H3-2,6-Me-2) in moderate yield through metathesis reactions. Furthermore, the combination of a tridentate asymmetrical pyrrole ligand, [C4H2NH(2-(CH2NHBu)-Bu-t)(5-CH2NMe2)] and n-BuLi initiates the lithiated 6 that undergoes the formation of a penta-coordinated gallium compound GaCl2[C4H2N(2-(CH2NHBu)-Bu-t)(5-CH2NMe2)] (7) while reacting with GaCl3. Furthermore, reacting 7 with two equivs of MeLi affords the gallium-alkyl compound, GaMe2[C4H2N(2-(CH2NHBu)-Bu-t)(5-CH2NMe2)] (8) in high yield. The Ga-derivatives are characterized by H-1 and C-13 NMR spectroscopy and the molecular structures of 2, 3, 4, 5 and 7 are determined by single crystal X-ray diffractometry in solid state. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.012