N-(3-chloropropyl)-3-nitro-1H-indole-2-carboxamide | 205930-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(3-chloropropyl)-3-nitro-1H-indole-2-carboxamide
• CAS: 205930-35-4
• 化学式: C₁₂H₁₂ClN₃O₃
• 分子量: 281.699
• InChiKey: ZOUCLXMDCWLYKX-UHFFFAOYSA-N

物化性质

• 沸点：
  553.3±45.0 °C(Predicted)
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  90.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3-chloropropyl)-3-nitro-1H-indole-2-carboxamide 在 盐酸 、 锌 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 3-amino-N-(3-chloropropyl)-1H-indole-2-carboxamide
  参考文献：
  名称：

  Synthesis and antiproliferative activity of 3-substituted 1H-indole [3,2-d]-1,2,3-triazin-4 (3H)-ones

  摘要：

  Some 3-substituted indole-triazin-4-ones were synthesized. Their antiproliferative activity against chronic myeloid leukaemia and non-Hodgkin lymphoma human cells was compared in vitro with that of daunorubicin. One compound appeared to be very effective against human CML. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80074-9
• 作为产物：
  描述：

  3-氯丙胺 、 3-硝基-1H-吲哚-2-羧酸 在 N,N'-羰基二咪唑 作用下， 生成 N-(3-chloropropyl)-3-nitro-1H-indole-2-carboxamide
  参考文献：
  名称：

  Synthesis and antiproliferative activity of 3-substituted 1H-indole [3,2-d]-1,2,3-triazin-4 (3H)-ones

  摘要：

  Some 3-substituted indole-triazin-4-ones were synthesized. Their antiproliferative activity against chronic myeloid leukaemia and non-Hodgkin lymphoma human cells was compared in vitro with that of daunorubicin. One compound appeared to be very effective against human CML. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80074-9

文献信息

• Synthesis and antiproliferative activity of 3-substituted 1H-indole [3,2-d]-1,2,3-triazin-4 (3H)-ones
  作者：Laura Garuti、Marinella Roberti、Tiziana Rossi、Mario Castelli、Monica Malagoli

  DOI：10.1016/s0223-5234(99)80074-9

  日期：1998.1

  Some 3-substituted indole-triazin-4-ones were synthesized. Their antiproliferative activity against chronic myeloid leukaemia and non-Hodgkin lymphoma human cells was compared in vitro with that of daunorubicin. One compound appeared to be very effective against human CML. (C) Elsevier, Paris.