| 156905-82-7

• 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
• CAS: 156905-82-7
• 化学式: C₂₇H₃₀N₂O₈
• 分子量: 510.544
• InChiKey: ARQYPVMXNZTHIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  37.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  127.39
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 四氯化碳 、 甲酸铵 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 6-O-tert-butyl 1-O,2-O-dimethyl 8-(chloromethyl)-4-hydroxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1,2,6-tricarboxylate
  参考文献：
  名称：

  Synthesis and antitumor activity of novel cyclopropapyrroloindole (CPI) derivatives bearing bis(methoxycarbonyl) groups

  摘要：

  The title synthesis was achieved by employing oxidative cyclization of the enaminodiester prepared by Michael addition of the 5-aminoindoline with dimethyl acetylenedicarboxylate, as a key step. Some of these novel bis(methoxycarbonyl)cyclopropapyrroloindole (MC(2)CPI) derivatives 9c, d and their seco-chlorides 18c, d were found to exhibit prominent cytotoxicity and antitumor activity against P388 murine leukemia. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00099-1
• 作为产物：
  描述：

  8-Acetoxymethyl-4-benzyloxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1,2,6-tricarboxylic acid 6-tert-butyl ester 1,2-dimethyl ester 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以95%的产率得到
  参考文献：
  名称：

  Synthesis and antitumor activity of novel cyclopropapyrroloindole (CPI) derivatives bearing bis(methoxycarbonyl) groups

  摘要：

  The title synthesis was achieved by employing oxidative cyclization of the enaminodiester prepared by Michael addition of the 5-aminoindoline with dimethyl acetylenedicarboxylate, as a key step. Some of these novel bis(methoxycarbonyl)cyclopropapyrroloindole (MC(2)CPI) derivatives 9c, d and their seco-chlorides 18c, d were found to exhibit prominent cytotoxicity and antitumor activity against P388 murine leukemia. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00099-1