| 445424-65-7

• CAS: 445424-65-7
• 化学式: C₄₈H₆₀Ga₆N₆
• 分子量: 1139.38
• InChiKey: JTQQNARTDKQFSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  苄胺 、 三甲基镓 以 甲苯 为溶剂， 以48%的产率得到
  参考文献：
  名称：

  Reactivity of Me3M (M=Al, Ga, In) with benzylamine to form the dimers, [Me2MN(H)CH2Ph]2, and the hexamers, [MeAlNCH2Ph]6 and [MeGaNCH2Ph]6: molecular structures of trans-[Me2MN(H)CH2Ph]2 and [MeAlNCH2Ph]6

  摘要：

  1:1 Equimolar mixtures of Me3Al, Me3Ga, or Me3In and benzylamine, when heated to 90-120 degreesC in toluene solution, undergo methane elimination to yield the respective dimers, [Me2MN(H)CH2Ph](2) where M = Al, Ga, or In. These dimers exist as 1:1 mixtures of cis and trans isomers in toluene-d(8) solution, over the temperature range 30-90 degreesC, consistent with the results of Beachley [1] for the aluminum derivative. However, single-crystal X-ray data indicate the dimers each crystallize in the trans form. The structure of each dimer exhibits a center of symmetry and each M2N2 core has a slightly distorted square planar geometry. The H-1- and C-13-NMR chemical shift assignments were made for the cis and trans isomers of the three compounds using a combination of 1D- and 2D-NMR techniques. Thermolysis of the 1: 1 mixtures at higher temperatures (120-180 degreesC) generates the more condensed hexameric species, [MeAlNCH2Ph](6) and (MeGaNCHPh](6), [MeAlNCH2Ph](6) crystallizes in a rhombohedral structure where the Al-N cage consists of two six-membered (AlN)3 rings linked together by six transverse Al-N bonds, The results of these thermolyses involving benzylamine are compared with the results of analogous reactions employing dibenzylamine, where an orthometalated product. [MeMN(CH2Ph)-mu-(CH2C6H4)](2), (M = Al, Ga), is obtained. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01125-7