cyclohexyl 2-fluoro-3-iodopropionate | 1204479-54-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: cyclohexyl 2-fluoro-3-iodopropionate
• 英文别名: Cyclohexyl 2-fluoro-3-iodopropanoate
• CAS: 1204479-54-8
• 化学式: C₉H₁₄FIO₂
• 分子量: 300.112
• InChiKey: MMVSNEINDVUWEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cyclohexyl 2-fluoro-3-iodopropionate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以74%的产率得到cyclohexyl 2-fluoro-2-propenate
  参考文献：
  名称：

  Electrochemical iodofluorination of electron-deficient olefins

  摘要：

  Electron-deficient olefins like alpha,beta-unsaturated ester, amide, and phosphonate reacted with iodonium cation species generated by the anodic oxidation of iodide anion in Et3N-5HF/CH3NO2 to form corresponding iodofluorinated compounds in good to moderate yields. The reaction proceeds at room temperature under air atmosphere and constant current conditions. The iodofluorinated products were shown to be useful fluorine-containing building blocks. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.005
• 作为产物：
  描述：

  2-丙烯酸环己基酯 在 triethylamine pentahydrogen fluoride salt 、 四丁基碘化铵 作用下， 以 硝基甲烷 为溶剂， 以21%的产率得到cyclohexyl 3-fluoro-2-iodopropionate
  参考文献：
  名称：

  Electrochemical iodofluorination of electron-deficient olefins

  摘要：

  Electron-deficient olefins like alpha,beta-unsaturated ester, amide, and phosphonate reacted with iodonium cation species generated by the anodic oxidation of iodide anion in Et3N-5HF/CH3NO2 to form corresponding iodofluorinated compounds in good to moderate yields. The reaction proceeds at room temperature under air atmosphere and constant current conditions. The iodofluorinated products were shown to be useful fluorine-containing building blocks. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.005