N,N'-bis(2-pyridylmethyl)acetamidine | 1295591-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N'-bis(2-pyridylmethyl)acetamidine
• 英文别名: N,N'-bis(pyridin-2-ylmethyl)ethanimidamide
• CAS: 1295591-27-3
• 化学式: C₁₄H₁₆N₄
• 分子量: 240.308
• InChiKey: QYLAHOJLPIOAJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N'-bis(2-pyridylmethyl)acetamidine 、 zinc(II) chloride 以 四氢呋喃 为溶剂， 以82%的产率得到N,N'-bis(2-pyridylmethyl)acetamidine zinc(II) chloride
  参考文献：
  名称：

  Synthesis and crystal structures of dinuclear zinc complexes with the 1,3-bis(2-pyridylmethyl)acetamidinato ligand

  摘要：

  The reaction of an equimolar mixture of N,N'-bis(2-pyridylmethyl)acetamidine (1) and di(tert-butyl)phosphane with dimethylzinc yields dinuclear bis(methylzinc) bis(2-pyridylmethyl) acetamidinate di (tert-butyl)phosphanide (2). A similar protocol allows the preparation of bis(alkylzinc) bis(2-pyridylmethyl) acetamidinate tert-butylamide [zinc-bound methyl (3) or trimethylsilylmethyl group (4)]. The reactions of 3 and 4 with diphenylsilane lead to the formation of insoluble dimeric bis(alkylzinc) N, N'-bis(2-pyridylmethyl) acetamidinate hydrides [zinc-bound methyl (5) or trimethylsilylmethyl group (6)]. These zinc hydrides decompose once dissolved under formation of elemental zinc thus hampering catalytic applications. Molecular structures of [(1)ZnCl2] as well as of the zinc complexes 2 to 6 are discussed. (c) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.033
• 作为产物：
  描述：

  2-氨甲基吡啶 、 原乙酸三乙酯 在 对甲苯磺酸 作用下， 以 水 为溶剂， 反应 1.0h， 以83%的产率得到N,N'-bis(2-pyridylmethyl)acetamidine
  参考文献：
  名称：

  Synthesis and crystal structures of dinuclear zinc complexes with the 1,3-bis(2-pyridylmethyl)acetamidinato ligand

  摘要：

  The reaction of an equimolar mixture of N,N'-bis(2-pyridylmethyl)acetamidine (1) and di(tert-butyl)phosphane with dimethylzinc yields dinuclear bis(methylzinc) bis(2-pyridylmethyl) acetamidinate di (tert-butyl)phosphanide (2). A similar protocol allows the preparation of bis(alkylzinc) bis(2-pyridylmethyl) acetamidinate tert-butylamide [zinc-bound methyl (3) or trimethylsilylmethyl group (4)]. The reactions of 3 and 4 with diphenylsilane lead to the formation of insoluble dimeric bis(alkylzinc) N, N'-bis(2-pyridylmethyl) acetamidinate hydrides [zinc-bound methyl (5) or trimethylsilylmethyl group (6)]. These zinc hydrides decompose once dissolved under formation of elemental zinc thus hampering catalytic applications. Molecular structures of [(1)ZnCl2] as well as of the zinc complexes 2 to 6 are discussed. (c) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.033