ethyl 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propionate | 1609636-45-4

• 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 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propionate
• 英文别名: Ethyl 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate；ethyl 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
• CAS: 1609636-45-4
• 化学式: C₁₅H₂₃NO₄
• 分子量: 281.352
• InChiKey: JVFDPRVXMXHUNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propionate 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 ethyl 2-(2-chloroacetyl)-5,8-dimethoxy-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  参考文献：
  名称：

  Synthesis of Hexahydropyrazino[1,2-b]isoquinolines as Simplified Saframycin Analogues

  摘要：

  Various hexahydropyrazino[1,2-b]isoquinolines were synthesised as simplified saframycin analogues. Construction of this core proceeded through a tetrahydroisoquinoline synthesis followed by acylation/alkylation of the tetrahydroisoquinoline nitrogen and subsequent ring closure using various aliphatic and aromatic amines. The resulting piperazinones were reacted with LiAlH4 or LiAlH(OEt)(3) to synthesise further analogues.

  DOI：

  10.1055/s-0033-1340070
• 作为产物：
  描述：

  二苯亚甲基甘氨酸乙酯 、 1-bromomethyl-2,5-dimethoxy-3,4-dimethylbenzene 在 四丁基硫酸氢铵 、 potassium hydroxide 、 盐酸 作用下， 以 二氯甲烷 、 水 、 四氢呋喃 为溶剂， 以92%的产率得到ethyl 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propionate
  参考文献：
  名称：

  Synthesis of Hexahydropyrazino[1,2-b]isoquinolines as Simplified Saframycin Analogues

  摘要：

  Various hexahydropyrazino[1,2-b]isoquinolines were synthesised as simplified saframycin analogues. Construction of this core proceeded through a tetrahydroisoquinoline synthesis followed by acylation/alkylation of the tetrahydroisoquinoline nitrogen and subsequent ring closure using various aliphatic and aromatic amines. The resulting piperazinones were reacted with LiAlH4 or LiAlH(OEt)(3) to synthesise further analogues.

  DOI：

  10.1055/s-0033-1340070

文献信息

• Synthesis of Hexahydropyrazino[1,2-b]isoquinolines as Simplified Saframycin Analogues
  作者：Norbert De Kimpe、Tuyen Nguyen Van、Pieter Claes

  DOI：10.1055/s-0033-1340070

  日期：——

  Various hexahydropyrazino[1,2-b]isoquinolines were synthesised as simplified saframycin analogues. Construction of this core proceeded through a tetrahydroisoquinoline synthesis followed by acylation/alkylation of the tetrahydroisoquinoline nitrogen and subsequent ring closure using various aliphatic and aromatic amines. The resulting piperazinones were reacted with LiAlH4 or LiAlH(OEt)(3) to synthesise further analogues.