3-[(2-methyl-1H-imidazol-5-yl)methylideneamino]-2,2-bis[[(2-methyl-1H-imidazol-5-yl)methylideneamino]methyl]propan-1-ol | 1428986-08-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[(2-methyl-1H-imidazol-5-yl)methylideneamino]-2,2-bis[[(2-methyl-1H-imidazol-5-yl)methylideneamino]methyl]propan-1-ol
• CAS: 1428986-08-6
• 化学式: C₂₀H₂₇N₉O
• 分子量: 409.494
• InChiKey: HMZOXBOOGVPCOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Nd(NO3)3(DMSO)3 、 3-[(2-methyl-1H-imidazol-5-yl)methylideneamino]-2,2-bis[[(2-methyl-1H-imidazol-5-yl)methylideneamino]methyl]propan-1-ol 以 甲醇 为溶剂， 以0.12 g的产率得到
  参考文献：
  名称：

  Some post-Wernerian coordination chemistry

  摘要：

  The crystal structures of one inert and six labile metal ion complexes have been analysed as a means of illustrating the refinements that X-ray crystallography has brought to the understanding of coordination chemistry so profoundly influenced by Alfred Werner. Contemporary interest in various weak interactions evident from structural studies can be related to the Wernerian concepts of "haupt-" and "neben-valenz". (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.044
• 作为产物：
  描述：

  3-amino-2,2-bis(aminomethyl)propan-1-ol 、 2-甲基咪唑-4-甲醛 以 甲醇 为溶剂， 反应 24.0h， 以1.51 g的产率得到3-[(2-methyl-1H-imidazol-5-yl)methylideneamino]-2,2-bis[[(2-methyl-1H-imidazol-5-yl)methylideneamino]methyl]propan-1-ol
  参考文献：
  名称：

  Some post-Wernerian coordination chemistry

  摘要：

  The crystal structures of one inert and six labile metal ion complexes have been analysed as a means of illustrating the refinements that X-ray crystallography has brought to the understanding of coordination chemistry so profoundly influenced by Alfred Werner. Contemporary interest in various weak interactions evident from structural studies can be related to the Wernerian concepts of "haupt-" and "neben-valenz". (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.044