3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)isoindolin-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)isoindolin-1-one
• 英文别名: 3-(2-Hydroxy-6-oxocyclohexen-1-yl)-2,3-dihydroisoindol-1-one；3-(2-hydroxy-6-oxocyclohexen-1-yl)-2,3-dihydroisoindol-1-one
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: NYHCQMBMNZKIME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氰基苯甲醛 、 1,3-环己二酮 在 cobalt(II) chloride hexahydrate 作用下， 以 乙腈 为溶剂， 以81%的产率得到3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)isoindolin-1-one
  参考文献：
  名称：

  CoCl2•6H2O-Promoted Pinner-Dimroth Tandem Reaction: Facile Synthesis of 3-Substituted Isoindolinones

  摘要：

  A convenient one-pot synthesis of 3-substituted isoindolinones were reported in good yield via Pinner-Dimroth tandem reaction of 1,3-dicarbonyl compounds and 2-cyanobenzaldehyde in the catalysis of CoCl2 center dot 6H(2)O. This method has advantages of time efficiency and mild reaction conditions.

  DOI：

  10.3987/com-15-13247

文献信息

• CoCl2•6H2O-Promoted Pinner-Dimroth Tandem Reaction: Facile Synthesis of 3-Substituted Isoindolinones
  作者：Daxin Shi、Jiarong Li、Mingxing Liu、Qi Zhang

  DOI：10.3987/com-15-13247

  日期：——

  A convenient one-pot synthesis of 3-substituted isoindolinones were reported in good yield via Pinner-Dimroth tandem reaction of 1,3-dicarbonyl compounds and 2-cyanobenzaldehyde in the catalysis of CoCl2 center dot 6H(2)O. This method has advantages of time efficiency and mild reaction conditions.