N-cyclohexylisophthalamic acid | 1020664-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-cyclohexylisophthalamic acid
• 英文别名: 3-(Cyclohexylcarbamoyl)benzoic acid
• CAS: 1020664-28-1
• 化学式: C₁₄H₁₇NO₃
• mdl: MFCD12070322
• 分子量: 247.294
• InChiKey: GCVCAOXNTUEQSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.428
• 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：

  一氧化碳 、 环己胺 、 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， 以61%的产率得到N-cyclohexylisophthalamic 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

• COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS
  申请人：Cellceutix Corporation

  公开号：EP2709619B1

  公开（公告）日：2017-10-11
• 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.