异喹啉-5-羧酸叔丁酯 | 1135265-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 异喹啉-5-羧酸叔丁酯
• 英文名称: isoquinoline-5-carboxylic acid t-butyl ester
• 英文别名: Tert-butyl isoquinoline-5-carboxylate
• CAS: 1135265-47-2
• 化学式: C₁₄H₁₅NO₂
• 分子量: 229.279
• InChiKey: IJHBBPDMYFZYMA-UHFFFAOYSA-N

物化性质

• 沸点：
  354.5±15.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-溴异喹啉 、 一氧化碳 、 sodium t-butanolate 在 1,1'-bis(diisopropylphosphino)ferrocene 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 为溶剂， 生成 异喹啉 、 异喹啉-5-羧酸叔丁酯
  参考文献：
  名称：

  An Efficient Method for the Preparation of Tertiary Esters by Palladium-Catalyzed Alkoxycarbonylation of Aryl Bromides

  摘要：

  The palladium-catalyzed alkoxycarbonylation of aryl bromides is described for the efficient preparation of tertiary esters. The protocol proved compatible with a wide variety of functionallzed (hetero)aromatic bromides, as well as several different sterically hindered tertiary alcohols, affording the alkoxycarbonylated products in high yields. Finally, the formation of aromatic trityl esters is discussed.

  DOI：

  10.1021/ol203057w

文献信息

• An Efficient Method for the Preparation of Tertiary Esters by Palladium-Catalyzed Alkoxycarbonylation of Aryl Bromides
  作者：Zhuo Xin、Thomas M. Gøgsig、Anders T. Lindhardt、Troels Skrydstrup

  DOI：10.1021/ol203057w

  日期：2012.1.6

  The palladium-catalyzed alkoxycarbonylation of aryl bromides is described for the efficient preparation of tertiary esters. The protocol proved compatible with a wide variety of functionallzed (hetero)aromatic bromides, as well as several different sterically hindered tertiary alcohols, affording the alkoxycarbonylated products in high yields. Finally, the formation of aromatic trityl esters is discussed.