N-(2-(diethylamino)ethyl)-D-gluconamide | 164113-45-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(2-(diethylamino)ethyl)-D-gluconamide
• 英文别名: (2R,3S,4R,5R)-N-[2-(diethylamino)ethyl]-2,3,4,5,6-pentahydroxyhexanamide
• CAS: 164113-45-5
• 化学式: C₁₂H₂₆N₂O₆
• 分子量: 294.348
• InChiKey: GOELEULIYGVNHJ-CHWFTXMASA-N

物化性质

• 沸点：
  630.4±55.0 °C(Predicted)
• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  134
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N,N-二乙基乙二胺 、 葡萄糖酸内酯 以 甲醇 为溶剂， 反应 6.0h， 以85%的产率得到N-(2-(diethylamino)ethyl)-D-gluconamide
  参考文献：
  名称：

  Synthesis and evaluation of d-gluconamides as green mineral scales

  摘要：

  A series of 13 D-gluconamides were synthesized in moderate to good yields and evaluated as green scale inhibitors. The crystal structures of two compounds were determined by X-ray crystallography. The compounds 6c and 6d showed a reasonable inhibition of BaSO4 precipitation from aqueous solution (47% and 51%, respectively) that indicated the potential for these derivatives of delta-gluconolactone. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2012.01.027