(-)-1,4-deoxy-1,4-diimidazol-1-yl-2,3-O-isopropylidene-L-threitol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (-)-1,4-deoxy-1,4-diimidazol-1-yl-2,3-O-isopropylidene-L-threitol
• 英文别名: 1-[[(4S,5S)-5-(imidazol-1-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]imidazole
• 化学式: C₁₃H₁₈N₄O₂
• 分子量: 262.312
• InChiKey: NIRDVDXAHYFFQN-RYUDHWBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  54.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (-)-1,4-deoxy-1,4-diimidazol-1-yl-2,3-O-isopropylidene-L-threitol 在 盐酸 作用下， 反应 3.0h， 以97%的产率得到{3-[(2S,3S)-(2,3-dihydroxybutane-1,4-diyl)]}-di-1H-imidazolium dihydrochloride
  参考文献：
  名称：

  Novel Generation of pH Indicators for Proton Magnetic Resonance Spectroscopic Imaging

  摘要：

  We describe the synthesis of 1,omega-di-IH-imidazoles 2 and 3, derived from L-threitol and D-mannitol, respectively, showing suitable magnetic and toxicological properties, as novel extracellular pH indicators for (1)H spectroscopic imaging by magnetic resonance methods.

  DOI：

  10.1021/jm070044j
• 作为产物：
  描述：

  咪唑 、 (-)-1,4-二-O-甲苯磺酰基-2,3-O-异亚丙基-L-苏糖醇 在 sodium amide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以88%的产率得到(-)-1,4-deoxy-1,4-diimidazol-1-yl-2,3-O-isopropylidene-L-threitol
  参考文献：
  名称：

  Novel Generation of pH Indicators for Proton Magnetic Resonance Spectroscopic Imaging

  摘要：

  We describe the synthesis of 1,omega-di-IH-imidazoles 2 and 3, derived from L-threitol and D-mannitol, respectively, showing suitable magnetic and toxicological properties, as novel extracellular pH indicators for (1)H spectroscopic imaging by magnetic resonance methods.

  DOI：

  10.1021/jm070044j

文献信息

• Novel Generation of pH Indicators for Proton Magnetic Resonance Spectroscopic Imaging
  作者：Jordi Soler-Padrós、Elena Pérez-Mayoral、Laura Domínguez、Pilar López-Larrubia、Elena Soriano、José Luis Marco-Contelles、Sebastián Cerdán、Paloma Ballesteros

  DOI：10.1021/jm070044j

  日期：2007.9.1

  We describe the synthesis of 1,omega-di-IH-imidazoles 2 and 3, derived from L-threitol and D-mannitol, respectively, showing suitable magnetic and toxicological properties, as novel extracellular pH indicators for (1)H spectroscopic imaging by magnetic resonance methods.