(N-dodecylcarbamoyl)acetic acid | 156210-19-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (N-dodecylcarbamoyl)acetic acid
• 英文别名: 3-(Dodecylamino)-3-oxopropanoic acid
• CAS: 156210-19-4
• 化学式: C₁₅H₂₉NO₃
• 分子量: 271.4
• InChiKey: WMDGYUVJVQECBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二氮杂18-冠醚-6 、 (N-dodecylcarbamoyl)acetic acid 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以44%的产率得到4,13--1,7,10,16-tetraoxa-4,13-diazacyclooctadecane
  参考文献：
  名称：

  Design and Synthesis of Calcium and Magnesium Ionophores Based on Double-Armed Diazacrown Ether Compounds and Their Application to an Ion Sensing Component for an Ion-Selective Electrode

  摘要：

  The double-armed diazacrown ethers, which have a base diazacrown ether ring with two diamide-type side chains, were designed and synthesized on the basis of the proposed molecular model for the novel neutral Ca2+ and Mg2+ ionophores. The potentiometric ion-selective electrodes were prepared with over 20 kinds of systematically synthesized diazacrown ether derivatives. The relationship between the molecular structures of the ionophores and the ion selectivities was fully discussed. The electrodes based on the 21- and 18-membered diazacrown ether derivatives possessing a glycolic diamide and malonic diamide in their side chains (K23E1 and K22B5) exhibited excellent Ca2+ and Mg2+ selectivities, respectively. The ion-selectivity features of the novel Ca2+ and Mg2+ ionophores supply important structural information about the design of host molecules for alkaline earth metal cations.

  DOI：

  10.1021/ac00098a016
• 作为产物：
  描述：

  (N-dodecylcarbamoyl)methyl acetate 在 lithium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 15.0h， 以95%的产率得到(N-dodecylcarbamoyl)acetic acid
  参考文献：
  名称：

  Design and Synthesis of Calcium and Magnesium Ionophores Based on Double-Armed Diazacrown Ether Compounds and Their Application to an Ion Sensing Component for an Ion-Selective Electrode

  摘要：

  The double-armed diazacrown ethers, which have a base diazacrown ether ring with two diamide-type side chains, were designed and synthesized on the basis of the proposed molecular model for the novel neutral Ca2+ and Mg2+ ionophores. The potentiometric ion-selective electrodes were prepared with over 20 kinds of systematically synthesized diazacrown ether derivatives. The relationship between the molecular structures of the ionophores and the ion selectivities was fully discussed. The electrodes based on the 21- and 18-membered diazacrown ether derivatives possessing a glycolic diamide and malonic diamide in their side chains (K23E1 and K22B5) exhibited excellent Ca2+ and Mg2+ selectivities, respectively. The ion-selectivity features of the novel Ca2+ and Mg2+ ionophores supply important structural information about the design of host molecules for alkaline earth metal cations.

  DOI：

  10.1021/ac00098a016