N-[1-(3,4-dimrthoxyphenyl)cyclopentylmethyl]amide ethyl oxalate | 331463-61-7

• 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: N-[1-(3,4-dimrthoxyphenyl)cyclopentylmethyl]amide ethyl oxalate
• 英文别名: Ethyl (([1-(3,4-dimethoxyphenyl)cyclopentyl]methyl)amino)(oxo)acetate；ethyl 2-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-2-oxoacetate
• CAS: 331463-61-7
• 化学式: C₁₈H₂₅NO₅
• 分子量: 335.4
• InChiKey: XZRGFDQMIDEPAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[1-(3,4-dimrthoxyphenyl)cyclopentylmethyl]amide ethyl oxalate 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以47.6%的产率得到ethyl 6,7-dimethoxy-4-spirocyclopentane-3,4-dihydroisoquinoline-1-carboxylate
  参考文献：
  名称：

  Synthesis of novel 1,2-functionally-substituted 6,7-dimethoxy-4-spirocyclo-pentanetetrahydroisoquinolines

  摘要：

  1-[( 3,4-Dimethoxyphenyl)cyclopentyl] methylamine has been used in the synthesis of 6,7-dimethoxy4- spirocyclopentane-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid N-methylamide which is employed in the preparation of novel derivatives with substituents in positions 1,2,6, and 7.

  DOI：

  10.1007/s10593-009-0385-5
• 作为产物：
  描述：

  1-(3,4-二甲氧基苯基)-1-氨基甲基环戊烷 、 草酸二乙酯 以 氯仿 为溶剂， 以62.7%的产率得到N-[1-(3,4-dimrthoxyphenyl)cyclopentylmethyl]amide ethyl oxalate
  参考文献：
  名称：

  Synthesis of novel 1,2-functionally-substituted 6,7-dimethoxy-4-spirocyclo-pentanetetrahydroisoquinolines

  摘要：

  1-[( 3,4-Dimethoxyphenyl)cyclopentyl] methylamine has been used in the synthesis of 6,7-dimethoxy4- spirocyclopentane-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid N-methylamide which is employed in the preparation of novel derivatives with substituents in positions 1,2,6, and 7.

  DOI：

  10.1007/s10593-009-0385-5

文献信息

• Synthesis of novel 1,2-functionally-substituted 6,7-dimethoxy-4-spirocyclo-pentanetetrahydroisoquinolines
  作者：A. A. Aghekyan、E. A. Arakelyan、G. A. Panosyan、A. G. Khachatryan、E. A. Markaryan

  DOI：10.1007/s10593-009-0385-5

  日期：2009.9

  1-[( 3,4-Dimethoxyphenyl)cyclopentyl] methylamine has been used in the synthesis of 6,7-dimethoxy4- spirocyclopentane-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid N-methylamide which is employed in the preparation of novel derivatives with substituents in positions 1,2,6, and 7.