3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic acid | 1020664-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic acid
• 英文别名: 3-[4-(4-Nitrophenyl)piperazine-1-carbonyl]benzoic acid
• CAS: 1020664-32-7
• 化学式: C₁₈H₁₇N₃O₅
• 分子量: 355.35
• InChiKey: SAHXWJGMZGJONY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  一氧化碳 、 1-(4-硝基苯基)哌嗪 、 3-碘苯甲酸 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 100.0 ℃ 、3.0 MPa 条件下， 生成 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic acid
  参考文献：
  名称：

  High-Efficiency Aminocarbonylation by Introducing CO to a Pressurized Continuous Flow Reactor

  摘要：

  Halogenated aryl carboxylic acids were efficiently converted to the corresponding dicarboxylic acid monoamides by a one-step Pd-catalyzed aminocarbonylation in a micro/meso fluidic continuous flow reactor (X-Cube) operated at high pressure and high temperature with CO gas introduction. Reaction parameters (solvent, base, catalyst, pressure, temperature) were rapidly optimized in the reactions, which required less than 2 min. The method gave improved results over comparable batch techniques and is also suited to automated parallel syntheses of compound libraries.

  DOI：

  10.1021/ol7030894

文献信息

• High-Efficiency Aminocarbonylation by Introducing CO to a Pressurized Continuous Flow Reactor
  作者：Csaba Csajági、Bernadett Borcsek、Krisztián Niesz、Ildikó Kovács、Zsolt Székelyhidi、Zoltán Bajkó、László Ürge、Ferenc Darvas

  DOI：10.1021/ol7030894

  日期：2008.4.1

  Halogenated aryl carboxylic acids were efficiently converted to the corresponding dicarboxylic acid monoamides by a one-step Pd-catalyzed aminocarbonylation in a micro/meso fluidic continuous flow reactor (X-Cube) operated at high pressure and high temperature with CO gas introduction. Reaction parameters (solvent, base, catalyst, pressure, temperature) were rapidly optimized in the reactions, which required less than 2 min. The method gave improved results over comparable batch techniques and is also suited to automated parallel syntheses of compound libraries.