4-ethoxycarbonylphenyl(thiophen-2-yl)iodonium trifluoroacetate | 1411986-35-0

• 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: 4-ethoxycarbonylphenyl(thiophen-2-yl)iodonium trifluoroacetate
• CAS: 1411986-35-0
• 化学式: C₂F₃O₂*C₁₃H₁₂IO₂S
• 分子量: 472.224
• InChiKey: WTAHMTXXARKARX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  66.43
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-ethoxycarbonylphenyl(thiophen-2-yl)iodonium trifluoroacetate 在 tetraethylammonium [18F]fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 4-[18F]fluorobenzoate
  参考文献：
  名称：

  Evaluation of tetraethylammonium bicarbonate as a phase-transfer agent in the formation of [18F]fluoroarenes

  摘要：

  Tetraethylammonium bicarbonate, Et4N center dot HCO3, was found to be an efficient phase-transfer agent, in a microreactor, for the production of [F-18]fluoroarenes from a range of precursors (diaryliodonium salt, nitroarene and [F-19]fluoroarene). This study has established Et4N center dot HCO3 as a practical alternative to the conventional phase-transfer system - Kryptofix (R) 222/K2CO3 - as the radiolabelled products were generated in comparable radiochemical yields. The use of Et4N center dot HCO3 also dramatically increased productivity by eliminating the frequent blockages of the microreactor experienced with the traditional system. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.07.015
• 作为产物：
  描述：

  对碘苯甲酸乙酯 在 四(三苯基膦)钯 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 25.5h， 生成 4-ethoxycarbonylphenyl(thiophen-2-yl)iodonium trifluoroacetate
  参考文献：
  名称：

  Evaluation of tetraethylammonium bicarbonate as a phase-transfer agent in the formation of [18F]fluoroarenes

  摘要：

  Tetraethylammonium bicarbonate, Et4N center dot HCO3, was found to be an efficient phase-transfer agent, in a microreactor, for the production of [F-18]fluoroarenes from a range of precursors (diaryliodonium salt, nitroarene and [F-19]fluoroarene). This study has established Et4N center dot HCO3 as a practical alternative to the conventional phase-transfer system - Kryptofix (R) 222/K2CO3 - as the radiolabelled products were generated in comparable radiochemical yields. The use of Et4N center dot HCO3 also dramatically increased productivity by eliminating the frequent blockages of the microreactor experienced with the traditional system. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.07.015