dihydro(3,5-dimethylpyridine)(3,5-dimethyl-4-hydropyridyl)gallium | 807332-60-1

• 英文名称: dihydro(3,5-dimethylpyridine)(3,5-dimethyl-4-hydropyridyl)gallium
• CAS: 807332-60-1
• 化学式: C₁₄H₂₁GaN₂
• 分子量: 287.057
• InChiKey: CYHVURXSHYNXFP-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  trihydro(3,5-dimethylpyridine)gallium 以 neat (no solvent, solid phase) 为溶剂， 生成 氢化镓 、 dihydro(3,5-dimethylpyridine)(3,5-dimethyl-4-hydropyridyl)gallium
  参考文献：
  名称：

  Dehydrogenative Ga−Ga Coupling and Hydrogallation in Gallium Hydride Complexes of 3,5-Dimethylpyridine

  摘要：

  The 2:1 complex of 3,5-dimethylpyridine (L) and dichlorogallane, (L)(2)GaHCl2, undergoes dehydrogenative Ga-Ga coupling in boiling toluene togive high yields of (L)Cl2Ga-GaCl2(L')- The structure of the dinuclear product (which has C h symmetry) has been determined [Ga-Ga'2.4000(8) Angstrom]. By contrast, the 1:1 complex of L' and gallium trihydride, (L)GaH3, on prolonged standing at 20 degreesC or when treated with excess ligand L" is converted into the hydrogallation product, (L')(L'H)GaH2. In this product, the gallium atom is attached to a pyridine donor ligand L' and a 4-hydropyridyl substituent, as proven by a crystal structure determination and by NMR and IR spectral studies. The Ga-N bond length is very significantly shorter for the hydropyridyl as compared to the pryridine group, and the carbon atom C-4 of the former has become the center of an aliphatic CH2 group with its H-1 and C-13 resonances shifted into the corresponding upfield regions. The C3C4 and C-4-C-5 linkages have been converted into single bonds, with double bonds localized at C-2-C-3 and (CC6)-C-5 of the (L'H) heterocycle. While the N-Ga-N angle is very small at only 103(1)degrees, the H-Ga-H angle is exceedingly large at 127(2)degrees, indicating a strong steric pressure ofthe seemingly small hydride ligands and that hydride functions thus are to be considered as bulky substituents.

  DOI：

  10.1021/om049393r