1-(4-((4R,4'R,5R,5'R)-5'-hydroxy-2,2'-diphenyl-4,4'-bi(1,3-dioxan)-5-yloxy)butyl)-3-methyl-1H-imidazol-3-ium bromide | 1315461-90-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 1-(4-((4R,4'R,5R,5'R)-5'-hydroxy-2,2'-diphenyl-4,4'-bi(1,3-dioxan)-5-yloxy)butyl)-3-methyl-1H-imidazol-3-ium bromide
• CAS: 1315461-90-5
• 化学式: Br*C₂₈H₃₅N₂O₆
• 分子量: 575.5
• InChiKey: XAIWYBAJAJAPLH-NKQGSFRDSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.07
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  75.19
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1-(4-((4R,4'R,5R,5'R)-5'-hydroxy-2,2'-diphenyl-4,4'-bi(1,3-dioxan)-5-yloxy)butyl)-3-methyl-1H-imidazol-3-ium bromide 在 氟硼酸钠 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以87%的产率得到1-(4-((4R,4'R,5R,5'R)-5'-hydroxy-2,2'-diphenyl-4,4'-bi(1,3-dioxan)-5-yloxy)butyl)-3-methyl-1H-imidazol-3-ium tetrafluoroborate
  参考文献：
  名称：

  Readily available and recoverable chiral ionic phosphite ligands for the highly enantioselective hydrogenation of functionalized olefins

  摘要：

  A series of novel ionic phosphite ligands bearing carbohydrate groups were conveniently synthesized and successfully applied in the asymmetric hydrogenation of enamides, alpha-dehydroamino acid esters, and dimethyl itaconate. High efficiency and excellent reusability were obtained in an ionic liquid-toluene biphasic system. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.04.011
• 作为产物：
  描述：

  甘露醇 在 硫酸 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 120.0h， 生成 1-(4-((4R,4'R,5R,5'R)-5'-hydroxy-2,2'-diphenyl-4,4'-bi(1,3-dioxan)-5-yloxy)butyl)-3-methyl-1H-imidazol-3-ium bromide
  参考文献：
  名称：

  Readily available and recoverable chiral ionic phosphite ligands for the highly enantioselective hydrogenation of functionalized olefins

  摘要：

  A series of novel ionic phosphite ligands bearing carbohydrate groups were conveniently synthesized and successfully applied in the asymmetric hydrogenation of enamides, alpha-dehydroamino acid esters, and dimethyl itaconate. High efficiency and excellent reusability were obtained in an ionic liquid-toluene biphasic system. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.04.011