1-hydroxy-2-(1-imidazolyl)propylidenebisphosphonic acid monosodium | 1385878-53-4

• 英文名称: 1-hydroxy-2-(1-imidazolyl)propylidenebisphosphonic acid monosodium
• 英文别名: zoledronate sodium
• CAS: 1385878-53-4
• 化学式: C₆H₁₁N₂O₇P₂*Na
• 分子量: 308.1
• InChiKey: GBMOSFUSRCBMDA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.35
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  155.94
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-hydroxy-3-(1H-imidazol-1-yl)propane-1,1-diyldiphosphonic acid 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 生成 1-hydroxy-2-(1-imidazolyl)propylidenebisphosphonic acid monosodium
  参考文献：
  名称：

  Microwave-assisted efficient synthesis of bisphosphonate libraries: a useful procedure for the preparation of bisphosphonates containing nitrogen and sulfur

  摘要：

  Microwave-assisted rapid and efficient procedure for the synthesis of bisphosphonate and their libraries is described in solvent-free medium. Bisphosphonates having nitrogen and sulfur are synthesized following this new procedure. This procedure is simple and can be useful for the generation of compound libraries of a class of bone-resorptive inhibitors such as N- and N-, S- containing bisphosphonates.

  DOI：

  10.1007/s00044-012-0153-4