1,3-propyl bis-[2,6-di(1-methyl-1H-imidazol-2-yl)isonicotinate]

• 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: 1,3-propyl bis-[2,6-di(1-methyl-1H-imidazol-2-yl)isonicotinate]
• 英文别名: 3-[2,6-Bis(1-methylimidazol-2-yl)pyridine-4-carbonyl]oxypropyl 2,6-bis(1-methylimidazol-2-yl)pyridine-4-carboxylate
• 化学式: C₃₁H₃₀N₁₀O₄
• 分子量: 606.644
• InChiKey: OJMDZNKGTHPLIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,6-二溴吡啶-4-羧酸乙酯 在 四(三苯基膦)钯 4-二甲氨基吡啶 、 氢氧化钾 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 62.0h， 生成 1,3-propyl bis-[2,6-di(1-methyl-1H-imidazol-2-yl)isonicotinate]
  参考文献：
  名称：

  Synthesis of 4-functionalized terdendate pyridine-based ligands

  摘要：

  Four different 4-functionalised pyridine-based ligands were synthesized with aminomethyl, oxazolinyl, pyrazolyl and methylimidazolyl groups at the 2- and 6-position. The nitrogens of these groups together with the pyridine nitrogen can act as terdendate ligands for metal ions. Synthetic handles on the 4-position of the pyridine :group were introduced via ether or ester bonds leading to monofunctional, bifunctional and amphiphilic ligands. (C) 2003 Published by Fisevier Science Ltd.

  DOI：

  10.1016/s0040-4020(03)00753-1

文献信息

• Synthesis of 4-functionalized terdendate pyridine-based ligands
  作者：Tina Vermonden、Danuta Branowska、Antonius T.M Marcelis、Ernst J.R Sudhölter

  DOI：10.1016/s0040-4020(03)00753-1

  日期：2003.6

  Four different 4-functionalised pyridine-based ligands were synthesized with aminomethyl, oxazolinyl, pyrazolyl and methylimidazolyl groups at the 2- and 6-position. The nitrogens of these groups together with the pyridine nitrogen can act as terdendate ligands for metal ions. Synthetic handles on the 4-position of the pyridine :group were introduced via ether or ester bonds leading to monofunctional, bifunctional and amphiphilic ligands. (C) 2003 Published by Fisevier Science Ltd.