2,6-(Me2NCH2)2C6H3Al(i-Bu)2

• 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: 2,6-(Me2NCH2)2C6H3Al(i-Bu)2
• 化学式: C₂₀H₃₇AlN₂
• 分子量: 332.509
• InChiKey: NQFXMWWZBJDUAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-(Me2NCH2)2C6H3Al(i-Bu)2 、 三苯基硅醇 以 甲苯 为溶剂， 以67%的产率得到2,6-(Me2NCH2)2C6H3Al(OSiPh3)2
  参考文献：
  名称：

  Reactivity of intramolecularly coordinated aluminum compounds to R3EOH (E = Sn, Si). Remarkable migration of N,C,N and O,C,O pincer ligands

  摘要：

  The reaction of organoaluminum compounds containing O,C,O or N,C,N chelating (so called pincer) ligands [2,6-(YCH2)(2)C6H3]-(AlBu2)-Bu-i (Y = MeO 1, (BuO)-Bu-t 2, Me2N 3) with R3SnOH (R = Ph or Me) gives tetraorganotin complexes [2,6-(YCH2)(2)C6H3]SnR3 (Y = MeO, R = Ph 4, Y = MeO, R = Me 5; Y = (BuO)-Bu-t, R = Ph 6, Y = (BuO)-Bu-t, R = Me 7; Y = Me2N, R = Ph 8, Y = Me2N, R = Me 9) as the result of migration of O,C,O or N,C,N pincer ligands from aluminum to tin atom. Reaction of 1 and 2 with ((Bu3Sn)-Bu-n)(2)O proceeded in similar fashion resulting in 10 and 11 ([2,6-(YCH2)(2)C6H3](SnBu3)-Bu-n, Y = MeO 10; Y = (BuO)-Bu-t 11) in mixture with (Bu3SnBu)-Bu-n-Bu-i. The reaction I and 3 with 2 equiv. of Ph3SiOH followed another reaction path and ([2,6-(YCH2)(2)C6H3]Al(OSiPh3)(2), Y = MeO 12, Me2N 13) were observed as the products of alkane elimination. The organotin derivatives 4-11 were characterized by the help of elemental analysis, ESI-MS technique, H-1, C-13, Sn-119 NMR spectroscopy and in the case 6 and 8 by single crystal X-ray diffraction (XRD). Compounds 12 and 13 were identified using elemental analysis, H-1, C-13, Si-29 NMR and IR spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.08.043
• 作为产物：
  描述：

  1,3-双(二甲氨基甲基)苯 、 二异丁基氯化铝 在 n-BuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 以75%的产率得到2,6-(Me2NCH2)2C6H3Al(i-Bu)2
  参考文献：
  名称：

  Reactivity of intramolecularly coordinated aluminum compounds to R3EOH (E = Sn, Si). Remarkable migration of N,C,N and O,C,O pincer ligands

  摘要：

  The reaction of organoaluminum compounds containing O,C,O or N,C,N chelating (so called pincer) ligands [2,6-(YCH2)(2)C6H3]-(AlBu2)-Bu-i (Y = MeO 1, (BuO)-Bu-t 2, Me2N 3) with R3SnOH (R = Ph or Me) gives tetraorganotin complexes [2,6-(YCH2)(2)C6H3]SnR3 (Y = MeO, R = Ph 4, Y = MeO, R = Me 5; Y = (BuO)-Bu-t, R = Ph 6, Y = (BuO)-Bu-t, R = Me 7; Y = Me2N, R = Ph 8, Y = Me2N, R = Me 9) as the result of migration of O,C,O or N,C,N pincer ligands from aluminum to tin atom. Reaction of 1 and 2 with ((Bu3Sn)-Bu-n)(2)O proceeded in similar fashion resulting in 10 and 11 ([2,6-(YCH2)(2)C6H3](SnBu3)-Bu-n, Y = MeO 10; Y = (BuO)-Bu-t 11) in mixture with (Bu3SnBu)-Bu-n-Bu-i. The reaction I and 3 with 2 equiv. of Ph3SiOH followed another reaction path and ([2,6-(YCH2)(2)C6H3]Al(OSiPh3)(2), Y = MeO 12, Me2N 13) were observed as the products of alkane elimination. The organotin derivatives 4-11 were characterized by the help of elemental analysis, ESI-MS technique, H-1, C-13, Sn-119 NMR spectroscopy and in the case 6 and 8 by single crystal X-ray diffraction (XRD). Compounds 12 and 13 were identified using elemental analysis, H-1, C-13, Si-29 NMR and IR spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.08.043

文献信息

• Reactivity of intramolecularly coordinated aluminum compounds to R3EOH (E = Sn, Si). Remarkable migration of N,C,N and O,C,O pincer ligands
  作者：Libor Dostál、Roman Jambor、Aleš Růžička、Robert Jirásko、Ivana Císařová、Jaroslav Holeček

  DOI：10.1016/j.jorganchem.2005.08.043

  日期：2006.1

  The reaction of organoaluminum compounds containing O,C,O or N,C,N chelating (so called pincer) ligands [2,6-(YCH2)(2)C6H3]-(AlBu2)-Bu-i (Y = MeO 1, (BuO)-Bu-t 2, Me2N 3) with R3SnOH (R = Ph or Me) gives tetraorganotin complexes [2,6-(YCH2)(2)C6H3]SnR3 (Y = MeO, R = Ph 4, Y = MeO, R = Me 5; Y = (BuO)-Bu-t, R = Ph 6, Y = (BuO)-Bu-t, R = Me 7; Y = Me2N, R = Ph 8, Y = Me2N, R = Me 9) as the result of migration of O,C,O or N,C,N pincer ligands from aluminum to tin atom. Reaction of 1 and 2 with ((Bu3Sn)-Bu-n)(2)O proceeded in similar fashion resulting in 10 and 11 ([2,6-(YCH2)(2)C6H3](SnBu3)-Bu-n, Y = MeO 10; Y = (BuO)-Bu-t 11) in mixture with (Bu3SnBu)-Bu-n-Bu-i. The reaction I and 3 with 2 equiv. of Ph3SiOH followed another reaction path and ([2,6-(YCH2)(2)C6H3]Al(OSiPh3)(2), Y = MeO 12, Me2N 13) were observed as the products of alkane elimination. The organotin derivatives 4-11 were characterized by the help of elemental analysis, ESI-MS technique, H-1, C-13, Sn-119 NMR spectroscopy and in the case 6 and 8 by single crystal X-ray diffraction (XRD). Compounds 12 and 13 were identified using elemental analysis, H-1, C-13, Si-29 NMR and IR spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.