N-methyl-6',7'-dimethoxy-2'-{2-[4-(4-fluorobenzyl)piperazin-1-yl]acetyl}-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1'-carboxamide | 1515877-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-methyl-6',7'-dimethoxy-2'-{2-[4-(4-fluorobenzyl)piperazin-1-yl]acetyl}-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1'-carboxamide
• CAS: 1515877-30-1
• 化学式: C₃₀H₃₉FN₄O₄
• 分子量: 538.662
• InChiKey: CZTXOXAUFBQVGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  74.35
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  N-methyl-6',7'-dimethoxy-2',3'-dihydro-1'H-spiro[cyclopentan-1,4'-isoquinoline]-1'-carboxamide 在 吡啶 、 potassium iodide 作用下， 以 1,4-二氧六环 、 乙醇 、 苯 为溶剂， 生成 N-methyl-6',7'-dimethoxy-2'-{2-[4-(4-fluorobenzyl)piperazin-1-yl]acetyl}-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1'-carboxamide
  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