ethyl {[1-(adamantan-1-yl)ethyl]amino}oxoacetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl {[1-(adamantan-1-yl)ethyl]amino}oxoacetate
• 英文别名: ethyl 2-[1-(1-adamantyl)ethylamino]-2-oxoacetate
• 化学式: C₁₆H₂₅NO₃
• 分子量: 279.379
• InChiKey: MQWVPIFYOFPXIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-金刚烷乙胺 、 草酰氯单乙酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以81%的产率得到ethyl {[1-(adamantan-1-yl)ethyl]amino}oxoacetate
  参考文献：
  名称：

  Synthesis and Properties of Ethyl [(Adamantan-1-yl)alkylene(phenylene)amino]oxoacetates and N1,N2-Bis[(adamantan-1-yl)alkylene(phenylene)]oxamides

  摘要：

  Ethyl [(adamantan-1-yl)alkylene(phenylene)amino]oxoacetates and N-1,N-2-bis[(adamantan-1-yl)-alkylene(phenylene)oxamides were prepared in yields of 72-87 and 18-60%, respectively, by the reaction of amines of the adamantane series with ethyl chlorooxoacetate and oxalyl chloride in methylene chloride in mild conditions.

  DOI：

  10.1134/s107042801911006x

文献信息

• Synthesis and Properties of Ethyl [(Adamantan-1-yl)alkylene(phenylene)amino]oxoacetates and N1,N2-Bis[(adamantan-1-yl)alkylene(phenylene)]oxamides
  作者：V. S. D’yachenko、V. V. Burmistrov、G. M. Butov

  DOI：10.1134/s107042801911006x

  日期：2019.11

  Ethyl [(adamantan-1-yl)alkylene(phenylene)amino]oxoacetates and N-1,N-2-bis[(adamantan-1-yl)-alkylene(phenylene)oxamides were prepared in yields of 72-87 and 18-60%, respectively, by the reaction of amines of the adamantane series with ethyl chlorooxoacetate and oxalyl chloride in methylene chloride in mild conditions.