N-methyl-6',7'-dimethoxy-2'-(2-chloroacetyl)-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1'-carboxamide | 1515877-27-6

• 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-chloroacetyl)-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1'-carboxamide
• CAS: 1515877-27-6
• 化学式: C₁₉H₂₅ClN₂O₄
• 分子量: 380.871
• InChiKey: LXFXXBDNLWPXFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  67.87
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-methyl-6',7'-dimethoxy-2'-(2-chloroacetyl)-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1'-carboxamide 、 4,6-二甲基-2-巯基嘧啶 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以51%的产率得到N-methyl-6',7'-dimethoxy-2'-[2-(4,6-dimethylpyrimidin-2-ylsulfanyl)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
• 作为产物：
  描述：

  N-methyl-6',7'-dimethoxy-2',3'-dihydro-1'H-spiro[cyclopentan-1,4'-isoquinoline]-1'-carboxamide 、 氯乙酰氯 在 吡啶 作用下， 以 苯 为溶剂， 以65%的产率得到N-methyl-6',7'-dimethoxy-2'-(2-chloroacetyl)-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