ethyl 7-(trifluoromethyl)quinoline-2-carboxylate | 1356126-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: ethyl 7-(trifluoromethyl)quinoline-2-carboxylate
• 英文别名: Ethyl 7-(trifluoromethyl)quinoline-2-carboxylate
• CAS: 1356126-74-3
• 化学式: C₁₃H₁₀F₃NO₂
• 分子量: 269.223
• InChiKey: AVFNKAQRUSVMOL-UHFFFAOYSA-N

物化性质

• 沸点：
  341.7±37.0 °C(Predicted)
• 密度：
  1.315±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨基-4-碘三氟甲苯 在 哌啶 、 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 sodium sulfate 、 二乙胺 、 三氟乙酸 、 copper(ll) bromide 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 生成 ethyl 7-(trifluoromethyl)quinoline-2-carboxylate
  参考文献：
  名称：

  Copper-Catalyzed [5 + 1] Annulation of 2-Ethynylanilines with an N,O-Acetal Leading to Construction of Quinoline Derivatives

  摘要：

  A novel copper-catalyzed [5 + 1] annulation of 2-ethynylanilines with an N,O-acetal, which functioned as a Cl part, leading to the preparation of quinoline derivatives with an ester substituent on the 2-position is described. A combination of CuBr2 and trifluoroacetic acid (TFA) promoting [5 + 1] annulation of the 2-ethynylaniline with ethyl glyoxylate is also demonstrated.

  DOI：

  10.1021/ol203360g

文献信息

• Copper-Catalyzed [5 + 1] Annulation of 2-Ethynylanilines with an <i>N</i>,<i>O</i>-Acetal Leading to Construction of Quinoline Derivatives
  作者：Norio Sakai、Kosuke Tamura、Kazuyori Shimamura、Reiko Ikeda、Takeo Konakahara

  DOI：10.1021/ol203360g

  日期：2012.2.3

  A novel copper-catalyzed [5 + 1] annulation of 2-ethynylanilines with an N,O-acetal, which functioned as a Cl part, leading to the preparation of quinoline derivatives with an ester substituent on the 2-position is described. A combination of CuBr2 and trifluoroacetic acid (TFA) promoting [5 + 1] annulation of the 2-ethynylaniline with ethyl glyoxylate is also demonstrated.