N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)(benzyloxycarbonylamino)acetamide | 811807-99-5

• 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-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)(benzyloxycarbonylamino)acetamide
• CAS: 811807-99-5
• 化学式: C₂₄H₃₀N₂O₈
• 分子量: 474.511
• InChiKey: YHSLAYUSSILLMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  113.58
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)(benzyloxycarbonylamino)acetamide 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 、 苯 为溶剂， 生成 N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)(9-methylcarbazole-3-carbonylamino)acetamide
  参考文献：
  名称：

  N-Methylcarbazole-3-carboxylic Acid and Its Amides

  摘要：

  N-Methylcarbazole-3-carboxylic acid was synthesized from N-methyl-2-amino-4-carboxydiphenylamine through the corresponding diazo compound by a modified Pschorr procedure. The acid was converted into N-methylcarbazole-3-carbonyl chloride which was treated with amines containing benzo- and aza-crown ether moieties, as well as with 3-(dimethylamino)propylamine, to obtain the respective N-substituted amides.

  DOI：

  10.1023/b:rujo.0000034974.67198.15
• 作为产物：
  描述：

  4'-氨基苯并-15-冠-5-醚 、 N-苄氧羰基甘氨酸 在 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到N-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)(benzyloxycarbonylamino)acetamide
  参考文献：
  名称：

  N-Methylcarbazole-3-carboxylic Acid and Its Amides

  摘要：

  N-Methylcarbazole-3-carboxylic acid was synthesized from N-methyl-2-amino-4-carboxydiphenylamine through the corresponding diazo compound by a modified Pschorr procedure. The acid was converted into N-methylcarbazole-3-carbonyl chloride which was treated with amines containing benzo- and aza-crown ether moieties, as well as with 3-(dimethylamino)propylamine, to obtain the respective N-substituted amides.

  DOI：

  10.1023/b:rujo.0000034974.67198.15