2-(5-chloropyridin-2-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)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: 2-(5-chloropyridin-2-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)isoindolin-1-one
• 英文别名: 2-(5-chloropyridin-2-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3H-isoindol-1-one
• 化学式: C₂₁H₁₉ClN₂O₃
• 分子量: 382.846
• InChiKey: XRWIFFJNQYONRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-5-氯吡啶 、 5,5-二甲基-1,3-环己二酮 、 邻羧基苯甲醛 以 乙醇 为溶剂， 反应 0.25h， 以86%的产率得到2-(5-chloropyridin-2-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)isoindolin-1-one
  参考文献：
  名称：

  A Catalyst-Free One-Pot Protocol for the Construction of Substituted Isoindolinones under Sustainable Conditions

  摘要：

  An operationally simple, one-pot, catalyst-free method was developed for the synthesis of pharmaceutically important substituted isoindolinones by a three-component reaction of 2-formylbenzoic acid, a primary amine, and a 1,3-dione in ethanol under dielectric heating.

  DOI：

  10.1055/s-0035-1562614

文献信息

• A Catalyst-Free One-Pot Protocol for the Construction of Substituted Isoindolinones under Sustainable Conditions
  作者：Koneni Sashidhara、L. Singh、Gopala Palnati、Srinivasa Avula、Ruchir Kant

  DOI：10.1055/s-0035-1562614

  日期：——

  An operationally simple, one-pot, catalyst-free method was developed for the synthesis of pharmaceutically important substituted isoindolinones by a three-component reaction of 2-formylbenzoic acid, a primary amine, and a 1,3-dione in ethanol under dielectric heating.