6-(3,3-Diethoxy-propyl)-9-isopropoxy-8,10-dimethoxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]indol-5-one | 497179-78-9

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: 6-(3,3-Diethoxy-propyl)-9-isopropoxy-8,10-dimethoxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]indol-5-one
• 英文别名: 10-(3,3-Diethoxypropyl)-14,16-dimethoxy-15-propan-2-yloxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
• CAS: 497179-78-9
• 化学式: C₂₈H₃₃NO₈
• 分子量: 511.572
• InChiKey: WWUUKAUGBRLFIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  84.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-(3,3-Diethoxy-propyl)-9-isopropoxy-8,10-dimethoxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]indol-5-one 在 三氯化铁 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 3-(9-Isopropoxy-8,10-dimethoxy-5-oxo-5H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]indol-6-yl)-propionaldehyde
  参考文献：
  名称：

  Synthesis and biological evaluation of aristolactams

  摘要：

  A variety of aristolactam derivatives were synthesized and evaluated for cytotoxicity. Modulations were carried out on the phenanthrene nucleus and the lactam moiety as well. N-(N-dialkylaminoalkyl) derivatives exhibited interesting cytotoxic activity against the L1210 leukemia cell line. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00794-1
• 作为产物：
  描述：

  7-[1-(6-Bromo-3-isopropoxy-2,4-dimethoxy-phenyl)-meth-(E)-ylidene]-6-(3,3-diethoxy-propyl)-6,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-5-one 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 生成 6-(3,3-Diethoxy-propyl)-9-isopropoxy-8,10-dimethoxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]indol-5-one
  参考文献：
  名称：

  Synthesis and biological evaluation of aristolactams

  摘要：

  A variety of aristolactam derivatives were synthesized and evaluated for cytotoxicity. Modulations were carried out on the phenanthrene nucleus and the lactam moiety as well. N-(N-dialkylaminoalkyl) derivatives exhibited interesting cytotoxic activity against the L1210 leukemia cell line. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00794-1