3-phenyl-4-(3-formylphenyl)-1-(phenylsulfonyl)-β-carbonline | 1391983-98-4

• 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: 3-phenyl-4-(3-formylphenyl)-1-(phenylsulfonyl)-β-carbonline
• CAS: 1391983-98-4
• 化学式: C₃₀H₂₀N₂O₃S
• 分子量: 488.566
• InChiKey: RCSQQHPNWWDLON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.57
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.03
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-phenyl-4-(3-formylphenyl)-1-(phenylsulfonyl)-β-carbonline 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 C₂₄H₁₆N₂O
  参考文献：
  名称：

  Synthesis and cytotoxic activity of 3-phenyl-4-substituted-β-carbolines

  摘要：

  A new class of 3-phenyl-4-substituted-beta carbolines via iodine-mediated electrophilic cyclization as key step were synthesized and their inhibitory activity against three tumor cell lines was evaluated in vitro. It was found that some of the tested compounds showed better cytotoxicity against HeLa and MCF-7 cells than harmine. (C) 2012 Guang Yu Xu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.09.010
• 作为产物：
  描述：

  3-iodo-2-methyl-1H-indole 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium phosphate 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 sodium azide 、 偶氮二异丁腈 、 碘 、 四丁基硫酸氢铵 、 三乙胺 、 sodium hydroxide 作用下， 以 四氯化碳 、 硝基甲烷 、 水 、 甲苯 、 Petroleum ether 、 苯 为溶剂， 反应 64.0h， 生成 3-phenyl-4-(3-formylphenyl)-1-(phenylsulfonyl)-β-carbonline
  参考文献：
  名称：

  Synthesis and cytotoxic activity of 3-phenyl-4-substituted-β-carbolines

  摘要：

  A new class of 3-phenyl-4-substituted-beta carbolines via iodine-mediated electrophilic cyclization as key step were synthesized and their inhibitory activity against three tumor cell lines was evaluated in vitro. It was found that some of the tested compounds showed better cytotoxicity against HeLa and MCF-7 cells than harmine. (C) 2012 Guang Yu Xu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.09.010