ethyl 2-acetyl-3-(cyclopropylcarbonyl)-5-iodobenzoate | 524931-85-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-acetyl-3-(cyclopropylcarbonyl)-5-iodobenzoate
• 英文别名: Ethyl 2-acetyl-3-(cyclopropanecarbonyl)-5-iodobenzoate；ethyl 2-acetyl-3-(cyclopropanecarbonyl)-5-iodobenzoate
• CAS: 524931-85-9
• 化学式: C₁₅H₁₅IO₄
• 分子量: 386.186
• InChiKey: WDTKYWXEZOLLAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  丙酰氯 、 ethyl 2-acetyl-3-(cyclopropylcarbonyl)-5-iodobenzoate 在 lithium dineopentylcuprate 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.5h， 以63%的产率得到ethyl 2-acetyl-3-cyclopropanoyl-5-propionyl-benzoate
  参考文献：
  名称：

  Successive Iodine−Magnesium or −Copper Exchange Reactions for the Selective Functionalization of Polyhalogenated Aromatics

  摘要：

  The presence of an electron-withdrawing group or chelating group was found to direct the halogen-copper and halogen-magnesium exchange with various di- or trihalogenated aromatics. Starting with a triiodobenzoate derivative, a range of tetraacylated benzenes could be prepared and used for a short synthesis of benzodiazines.

  DOI：

  10.1021/ol0341492
• 作为产物：
  描述：

  2,3,5-三碘苯甲酸乙酯 在 lithium dineopentylcuprate 作用下， 以 乙醚 为溶剂， 反应 1.33h， 生成 ethyl 2-acetyl-3-(cyclopropylcarbonyl)-5-iodobenzoate
  参考文献：
  名称：

  Successive Iodine−Magnesium or −Copper Exchange Reactions for the Selective Functionalization of Polyhalogenated Aromatics

  摘要：

  The presence of an electron-withdrawing group or chelating group was found to direct the halogen-copper and halogen-magnesium exchange with various di- or trihalogenated aromatics. Starting with a triiodobenzoate derivative, a range of tetraacylated benzenes could be prepared and used for a short synthesis of benzodiazines.

  DOI：

  10.1021/ol0341492

文献信息

• Successive Iodine−Magnesium or −Copper Exchange Reactions for the Selective Functionalization of Polyhalogenated Aromatics
  作者：Xiaoyin Yang、Thomas Rotter、Claudia Piazza、Paul Knochel

  DOI：10.1021/ol0341492

  日期：2003.4.1

  The presence of an electron-withdrawing group or chelating group was found to direct the halogen-copper and halogen-magnesium exchange with various di- or trihalogenated aromatics. Starting with a triiodobenzoate derivative, a range of tetraacylated benzenes could be prepared and used for a short synthesis of benzodiazines.