N,N'-methylenebis[(2S,4R,5R)/(2S,4R,5R)-4-methyl-1,3-dioxan-2,5-diyl]bisamine | 879559-70-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N'-methylenebis[(2S,4R,5R)/(2S,4R,5R)-4-methyl-1,3-dioxan-2,5-diyl]bisamine
• CAS: 879559-70-3
• 化学式: C₁₁H₂₂N₂O₄
• 分子量: 246.307
• InChiKey: ZRJXDBJIIMGSTB-JHMKVRFYSA-N

物化性质

• 沸点：
  358.6±42.0 °C(Predicted)
• 密度：
  1.090±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.45
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  88.96
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N,N'-methylenebis[(2S,4R,5R)/(2S,4R,5R)-4-methyl-1,3-dioxan-2,5-diyl]bisamine 、 苯甲酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以76%的产率得到C₂₅H₃₀N₂O₆
  参考文献：
  名称：

  Stereoselective synthesis and anti-inflammatory activities of 6- and 7-membered dioxacycloalkanes

  摘要：

  A class of 5-trifluoroacetylamino-1,3-dioxacycloalkanes, 5-benzoylamino-1,3-dioxacycloalkanes and 5-amino-1,3-dioxacycloalkane compounds were stereoselectively synthesized as potential anti-inflammatory drug candidates. The anti -inflammatory activities of these compounds were tested using the xylene-induced mouse ear edema model, from which multiple compounds possessing anti-inflammatory properties which surpass aspirin were identified; these compounds were then compared to establish structure-activity relationships. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.068
• 作为产物：
  描述：

  N,N'-methylenebis[(2S,4R,5R)/(2S,4R,5R)-4-methyl-1,3-dioxan-2,5-diyl]bistrifluoroacetamide 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以90%的产率得到N,N'-methylenebis[(2S,4R,5R)/(2S,4R,5R)-4-methyl-1,3-dioxan-2,5-diyl]bisamine
  参考文献：
  名称：

  Stereoselective synthesis and anti-inflammatory activities of 6- and 7-membered dioxacycloalkanes

  摘要：

  A class of 5-trifluoroacetylamino-1,3-dioxacycloalkanes, 5-benzoylamino-1,3-dioxacycloalkanes and 5-amino-1,3-dioxacycloalkane compounds were stereoselectively synthesized as potential anti-inflammatory drug candidates. The anti -inflammatory activities of these compounds were tested using the xylene-induced mouse ear edema model, from which multiple compounds possessing anti-inflammatory properties which surpass aspirin were identified; these compounds were then compared to establish structure-activity relationships. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.068