1,5-diethyl 3-(1H-imidazol-1-yl)pentanedioate | 146234-44-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,5-diethyl 3-(1H-imidazol-1-yl)pentanedioate
• 英文别名: Diethyl 3-imidazol-1-ylpentanedioate
• CAS: 146234-44-8
• 化学式: C₁₂H₁₈N₂O₄
• 分子量: 254.286
• InChiKey: BFWMTWGSLZUBGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,5-diethyl 3-(1H-imidazol-1-yl)pentanedioate 在 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 3-(1H-imidazole-1-yl)pentanedioic acid
  参考文献：
  名称：

  Supramolecular Ferric Porphyrins as Cyanide Receptors in Aqueous Solution

  摘要：

  All fundamental data about binding of the cyanide to a supramolecular complex composed of a per-O-methylated beta-cyclodextrin dimer having an imidazole linker (Im3CD) and an anionic ferric porphyrin ((FeTPPS)-T-(III)) indicate that the (FeTPPS)-T-(III)/Im3CD complex is much better as an cyanide receptor in vivo than hydroxocobalamin, whose cyanide binding ability is lowered by its strong binding to serum proteins in the blood.

  DOI：

  10.1021/ml200231x
• 作为产物：
  描述：

  咪唑 、 戊烯二酸二乙酯 反应 24.0h， 以89%的产率得到1,5-diethyl 3-(1H-imidazol-1-yl)pentanedioate
  参考文献：
  名称：

  Supramolecular Ferric Porphyrins as Cyanide Receptors in Aqueous Solution

  摘要：

  All fundamental data about binding of the cyanide to a supramolecular complex composed of a per-O-methylated beta-cyclodextrin dimer having an imidazole linker (Im3CD) and an anionic ferric porphyrin ((FeTPPS)-T-(III)) indicate that the (FeTPPS)-T-(III)/Im3CD complex is much better as an cyanide receptor in vivo than hydroxocobalamin, whose cyanide binding ability is lowered by its strong binding to serum proteins in the blood.

  DOI：

  10.1021/ml200231x

文献信息

• Supramolecular Ferric Porphyrins as Cyanide Receptors in Aqueous Solution
  作者：Kenji Watanabe、Hiroaki Kitagishi、Koji Kano

  DOI：10.1021/ml200231x

  日期：2011.12.8

  All fundamental data about binding of the cyanide to a supramolecular complex composed of a per-O-methylated beta-cyclodextrin dimer having an imidazole linker (Im3CD) and an anionic ferric porphyrin ((FeTPPS)-T-(III)) indicate that the (FeTPPS)-T-(III)/Im3CD complex is much better as an cyanide receptor in vivo than hydroxocobalamin, whose cyanide binding ability is lowered by its strong binding to serum proteins in the blood.