cis-1-{2,3-dimethyl-9-[(4-methylphenyl)sulfonyl]-1,4,9,9a-tetrahydro-4aH-carbazol-4a-yl}ethanone

• 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: cis-1-{2,3-dimethyl-9-[(4-methylphenyl)sulfonyl]-1,4,9,9a-tetrahydro-4aH-carbazol-4a-yl}ethanone
• 英文别名: 1-[(4aS,9aR)-2,3-dimethyl-9-(4-methylphenyl)sulfonyl-4,9a-dihydro-1H-carbazol-4a-yl]ethanone
• 化学式: C₂₃H₂₅NO₃S
• 分子量: 395.522
• InChiKey: VELKJVDYJPVFRF-PKTZIBPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cis-1-{2,3-dimethyl-9-[(4-methylphenyl)sulfonyl]-1,4,9,9a-tetrahydro-4aH-carbazol-4a-yl}ethanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 cis-1-{2,3-dimethyl-9-[(4-methylphenyl)sulfonyl]-1,4,9,9a-tetrahydro-4aH-carbazol-4a-yl}ethanol
  参考文献：
  名称：

  Normal electron demand Diels–Alder cycloaddition of indoles to 2,3-dimethyl-1,3-butadiene

  摘要：

  The influence of experimental conditions and of a wide range of electron-withdrawing indole substituents has been studied in the thermally activated and Lewis acid activated intermolecular Diels-Alder cycloaddition of electron-poor indoles to 2,3-dimethyl-1,3-butadiene. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.030
• 作为产物：
  描述：

  1H-吲哚,3-乙酰基-1-[(4-甲基苯基)磺酰]- 、 2,3-二甲基-1,3-丁二烯 以 水 为溶剂， 反应 144.0h， 以90%的产率得到cis-1-{2,3-dimethyl-9-[(4-methylphenyl)sulfonyl]-1,4,9,9a-tetrahydro-4aH-carbazol-4a-yl}ethanone
  参考文献：
  名称：

  Normal electron demand Diels–Alder cycloaddition of indoles to 2,3-dimethyl-1,3-butadiene

  摘要：

  The influence of experimental conditions and of a wide range of electron-withdrawing indole substituents has been studied in the thermally activated and Lewis acid activated intermolecular Diels-Alder cycloaddition of electron-poor indoles to 2,3-dimethyl-1,3-butadiene. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.030

文献信息

• Normal electron demand Diels–Alder cycloaddition of indoles to 2,3-dimethyl-1,3-butadiene
  作者：M. Carmen de la Fuente、Domingo Domínguez

  DOI：10.1016/j.tet.2011.04.030

  日期：2011.6

  The influence of experimental conditions and of a wide range of electron-withdrawing indole substituents has been studied in the thermally activated and Lewis acid activated intermolecular Diels-Alder cycloaddition of electron-poor indoles to 2,3-dimethyl-1,3-butadiene. (C) 2011 Elsevier Ltd. All rights reserved.