4,4'-(1,3-propoxy)-bis[2,6-bis(hydroxymethyl)pyridine] | 600727-86-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4'-(1,3-propoxy)-bis[2,6-bis(hydroxymethyl)pyridine]
• 英文别名: [4-[3-[2,6-bis(hydroxymethyl)pyridin-4-yl]oxypropoxy]-6-(hydroxymethyl)pyridin-2-yl]methanol
• CAS: 600727-86-4
• 化学式: C₁₇H₂₂N₂O₆
• 分子量: 350.371
• InChiKey: DSYXNQCGNZZWFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.29
• 重原子数：
  25.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  125.16
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4,4'-(1,3-propoxy)-bis[2,6-bis(hydroxymethyl)pyridine] 在 乌洛托品 、 三溴化磷 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 3.0h， 生成 4,4'-(1,3-propoxy)-bis[2,6-bis(aminomethyl)pyridine] hexahydrochloride
  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
• 作为产物：
  描述：

  tetraethyl 4,4'-(1,3-propoxy)-bis-2,6-pyridinedicarboxylate 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 4,4'-(1,3-propoxy)-bis[2,6-bis(hydroxymethyl)pyridine]
  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