methyl 5-({6',7'-dimethoxy-1'-methylcarbamoyl-1'H-spiro[cyclopentane-1,4'-isoquinoline]-2'(3'H)-yl}methyl)furan-2-carboxylate | 1219351-39-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 5-({6',7'-dimethoxy-1'-methylcarbamoyl-1'H-spiro[cyclopentane-1,4'-isoquinoline]-2'(3'H)-yl}methyl)furan-2-carboxylate
• 英文别名: methyl 5-[[6,7-dimethoxy-1-(methylcarbamoyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl]methyl]furan-2-carboxylate
• CAS: 1219351-39-9
• 化学式: C₂₄H₃₀N₂O₆
• 分子量: 442.512
• InChiKey: LVQOJZYLDYBDIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.24
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  5-(氯甲基)-2-糠酸甲酯 、 N-methyl-6',7'-dimethoxy-2',3'-dihydro-1'H-spiro[cyclopentan-1,4'-isoquinoline]-1'-carboxamide 在 三乙胺 、 potassium iodide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 15.0h， 以50%的产率得到methyl 5-({6',7'-dimethoxy-1'-methylcarbamoyl-1'H-spiro[cyclopentane-1,4'-isoquinoline]-2'(3'H)-yl}methyl)furan-2-carboxylate
  参考文献：
  名称：

  Synthesis of new 2-substituted 6,7-dimethoxy-1-(methylcarbamoyl)-4-spirocyclopentane-1,2,3,4-tetrahydroisoquinolines

  摘要：

  New 2-(heterylmethyl) derivatives were synthesized from 6,7-dimethoxy-4-spirocyclopentane-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid N-methylamide and heterylmethyl chlorides. The reactions of 2-chloroacetyl-substituted tetrahydroisoquinoline with versatile secondary amines and heterylthiols afforded the corresponding 2-aminoacetyl and 2-(heterylsulfanylacetyl) derivatives of tetrahydroisoquinoline series.

  DOI：

  10.1134/s1070428013110122