2-cyclohexyl-3-(1-methyl-2-phenyl-1H-indol-3-yl)-2,3-dihydro-1H-isoindol-1-one | 931370-54-6

• 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: 2-cyclohexyl-3-(1-methyl-2-phenyl-1H-indol-3-yl)-2,3-dihydro-1H-isoindol-1-one
• 英文别名: 2-cyclohexyl-3-(1-methyl-2-phenylindol-3-yl)-3H-isoindol-1-one
• CAS: 931370-54-6
• 化学式: C₂₉H₂₈N₂O
• 分子量: 420.554
• InChiKey: GLZNSCMAFQGSFB-UHFFFAOYSA-N

物化性质

• 熔点：
  181-182 °C
• 沸点：
  613.7±55.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  25.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-甲基-2-苯基吲哚 、 2-cyclohexyl-3-hydroxy-1-isoindolinone 在 三氟化硼乙醚 作用下， 以 氯仿 为溶剂， 以64%的产率得到2-cyclohexyl-3-(1-methyl-2-phenyl-1H-indol-3-yl)-2,3-dihydro-1H-isoindol-1-one
  参考文献：
  名称：

  Synthesis of 2-alkyl-3-(indol- 2(or 3)-yl)-1,3-dihydroisoindol- 1-ones by amidoalkylation

  摘要：

  2-Alkyl-3-(indol-3-yl)-1,3-dihydroisoindol-1-ones have been obtained in good yield on amidoalkylation of indoles with 2-alkyl-3-hydroxyphthalides in chloroform at room temperature in the presence of catalytic quantities of boron trifluoride etherate. When a substituent is present at position 3 of the indole, attack is directed to position 2 of the indole nucleus.

  DOI：

  10.1007/s10593-009-0333-4

文献信息

• Synthesis of 2-alkyl-3-(indol- 2(or 3)-yl)-1,3-dihydroisoindol- 1-ones by amidoalkylation
  作者：N. P. Andryukhova、O. A. Pozharskaya、G. A. Golubeva、L. A. Sviridova、A.V. Sadovoy

  DOI：10.1007/s10593-009-0333-4

  日期：2009.6

  2-Alkyl-3-(indol-3-yl)-1,3-dihydroisoindol-1-ones have been obtained in good yield on amidoalkylation of indoles with 2-alkyl-3-hydroxyphthalides in chloroform at room temperature in the presence of catalytic quantities of boron trifluoride etherate. When a substituent is present at position 3 of the indole, attack is directed to position 2 of the indole nucleus.