2,3,4a,8a-tetrachloro-7,8-dimethyl-5-(1-tosylindol-3-yl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3,4a,8a-tetrachloro-7,8-dimethyl-5-(1-tosylindol-3-yl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone
• 英文别名: (4aS,8aR)-2,3,4a,8a-tetrachloro-5,6-dimethyl-8-[1-(4-methylphenyl)sulfonylindol-3-yl]-5,8-dihydronaphthalene-1,4-dione
• 化学式: C₂₇H₂₁Cl₄NO₄S
• 分子量: 597.346
• InChiKey: YGRJUARXMIKEQT-MFGCFUAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  81.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-[(4-甲基苯基)磺酰]-1H-吲哚-3-甲醛 在 sodium hydroxide 、 正丁基锂 作用下， 以 四氢呋喃 、 水 、 苯 为溶剂， 反应 51.33h， 生成 2,3,4a,8a-tetrachloro-7,8-dimethyl-5-(1-tosylindol-3-yl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone
  参考文献：
  名称：

  Synthesis of Novel Murrapanine Analogues by Microwave Irradiation

  摘要：

  Some new Murrapanine analogues have been synthesized via microwave irradiation by intermolecular Diels-Alder cyclization of 1-tosyl-3-(3-methyl-1,3-vinylallyl) indole with a dienophile such as quinone. The structure of the compounds has been characterized by H-1 NMR and MS.

  DOI：

  10.1080/00397910500451159

文献信息

• Synthesis of Novel <i>Murrapanine</i> Analogues by Microwave Irradiation
  作者：Xiaohe Guo、Weidong Hu、Senxiang Cheng、Limin Wang、Junbiao Chang

  DOI：10.1080/00397910500451159

  日期：2006.4.1

  Some new Murrapanine analogues have been synthesized via microwave irradiation by intermolecular Diels-Alder cyclization of 1-tosyl-3-(3-methyl-1,3-vinylallyl) indole with a dienophile such as quinone. The structure of the compounds has been characterized by H-1 NMR and MS.