ethyl N-(2-vinylbenzyl)-N-ethylglycinate | 1126441-69-7

• 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 N-(2-vinylbenzyl)-N-ethylglycinate
• 英文别名: ethyl 2-[(2-ethenylphenyl)methyl-ethylamino]acetate
• CAS: 1126441-69-7
• 化学式: C₁₅H₂₁NO₂
• 分子量: 247.337
• InChiKey: NUVMMDANWLDKPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-ethyl-2-(2-ethoxy-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolinium chloride 在 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 以55%的产率得到3-ethyl-2-ethoxycarbonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
  参考文献：
  名称：

  Rearrangements of N-ethoxycarbonylmethyl-1,2,3,4-tetrahydroquinolinium halogenalkylates effected by sodium hydride. Synthesis of 2,3,4,5-tetrahydro-1H-3-benzazepines

  摘要：

  Quaternary salts obtained from N-alkyl-1,2,3,4-tetrahydroisoquinolines and ethyl haloacetates or diethyl bromomalonate under the action of sodium hydride in boiling 1,4-dioxane were converted into N-alkyl-N-ethoxycarbonyl-2,3,4,5-tetrahydro-1H-3-benzazepines in 49-60% yield. From the reaction mixture by column chromatography products of beta-elimination by Hofmann reaction, 2-(N-methyl-N-ethoxycarbonylmethyl)-aminomethylstyrenes were also isolated (yield 0.6-16%).

  DOI：

  10.1134/s1070428008050205

文献信息

• Rearrangements of N-ethoxycarbonylmethyl-1,2,3,4-tetrahydroquinolinium halogenalkylates effected by sodium hydride. Synthesis of 2,3,4,5-tetrahydro-1H-3-benzazepines
  作者：G. S. Gimranova、S. A. Soldatova、A. T. Soldatenkov、K. B. Polyanskii

  DOI：10.1134/s1070428008050205

  日期：2008.5

  Quaternary salts obtained from N-alkyl-1,2,3,4-tetrahydroisoquinolines and ethyl haloacetates or diethyl bromomalonate under the action of sodium hydride in boiling 1,4-dioxane were converted into N-alkyl-N-ethoxycarbonyl-2,3,4,5-tetrahydro-1H-3-benzazepines in 49-60% yield. From the reaction mixture by column chromatography products of beta-elimination by Hofmann reaction, 2-(N-methyl-N-ethoxycarbonylmethyl)-aminomethylstyrenes were also isolated (yield 0.6-16%).