dialuminum;carbanide;2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-9-ide | 210987-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: dialuminum;carbanide;2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-9-ide
• CAS: 210987-79-4
• 化学式: C₁₈H₃₆Al₂N₆
• 分子量: 390.487
• InChiKey: FNJJJWBWDQSMJY-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：

  1,5,7-三氮杂双环[4.4.0]癸-5-烯 、 三甲基铝 以 正己烷 为溶剂， 以75%的产率得到dialuminum;carbanide;2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-9-ide
  参考文献：
  名称：

  Aluminum Alkyl Complexes Containing Guanidinate Ligands

  摘要：

  The synthesis and structures of new aluminum complexes incorporating guanidinate ligands (R2NC(NR')(2)(-)) are described. The reaction of (PrN)-Pr-i=-C=(NPr)-Pr-i with LiNR2 reagents yields Li[R2NC((NPr)-Pr-i)(2)] guanidinate salts, which are reacted in situ with AlCl3 or AlMe2Cl to afford (R2NC((NPr)-Pr-i)(2))AlCl2 (1a, R = Me; 1b, R = Et; 1c, R - Pr-i; 1d, R = SiMe3) or (R2NC((NPr)-Pr-i)(2))AlMe2 (2a, R = Me; 2b, R = Et; 2c, R = Pr-i), respectively. The reaction of 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine (hppH) with AlMe3 generates {(mu-hpp)AlMe2)(2) (3). Complexes 1a, 1d, and 3 have been characterized by X-ray crystallography. la and Id adopt monomeric structures with symmetric chelated bidentate guanidinate ligands. Delocalization of the -NR2 lone pair into the chelate ring is important for 1a but not for 1d, due to N-Si pi-bonding and steric crowding. The bicyclic structure of the hpp(-) ligand enforces a dimeric mu-hpp(-) structure for 3.

  DOI：

  10.1021/om980223m