4-morpholinobut-2-yn-1-yl 3-methylbutanoate | 1289157-20-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-morpholinobut-2-yn-1-yl 3-methylbutanoate
• 英文别名: 4-Morpholinobut-2-yn-1-yl 3-methylbutanoate；4-morpholin-4-ylbut-2-ynyl 3-methylbutanoate
• CAS: 1289157-20-5
• 化学式: C₁₃H₂₁NO₃
• 分子量: 239.315
• InChiKey: VUYRTZHRHMCMLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  双吗啉甲烷 、 prop-2-yn-1-yl 3-methylbutanoate 在 copper(l) chloride 作用下， 反应 6.0h， 以46%的产率得到4-morpholinobut-2-yn-1-yl 3-methylbutanoate
  参考文献：
  名称：

  Aminomethylation of acetylene alcohols and their esters with gem-diamines catalyzed by complexes of d-transition and rare-earth metals

  摘要：

  An efficient synthetic procedure was developed for preparation of oxygen-containing propargylamines with high yields and selectivity by aminomethylation of propargyl alcohols and their esters with gem-diamines catalyzed by complexes and salts of d-transition metals and lanthanides.

  DOI：

  10.1134/s1070428011020023

文献信息

• Aminomethylation of acetylene alcohols and their esters with gem-diamines catalyzed by complexes of d-transition and rare-earth metals
  作者：M. G. Shaibakova、I. G. Titova、A. G. Ibragimov、U. M. Dzhemilev

  DOI：10.1134/s1070428011020023

  日期：2011.2

  An efficient synthetic procedure was developed for preparation of oxygen-containing propargylamines with high yields and selectivity by aminomethylation of propargyl alcohols and their esters with gem-diamines catalyzed by complexes and salts of d-transition metals and lanthanides.