2-(4-iodo-benzyloxy)-1-methylpyridinium triflate | 1018349-40-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-(4-iodo-benzyloxy)-1-methylpyridinium triflate
• 英文别名: 2-[(4-Iodophenyl)methoxy]-1-methylpyridin-1-ium;trifluoromethanesulfonate
• CAS: 1018349-40-0
• 化学式: CF₃O₃S*C₁₃H₁₃INO
• 分子量: 475.227
• InChiKey: OIEIEWIFHMOWOQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  78.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(4-iodo-benzyloxy)-1-methylpyridinium triflate 、 4-(4-甲氧苯基)-1-丁醇 在 magnesium oxide 作用下， 以 various solvent(s) 为溶剂， 反应 24.0h， 以92%的产率得到1-Iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
  参考文献：
  名称：

  Stable Oxypyridinium Triflate (OPT) Salts for the Synthesis of Halobenzyl Ethers

  摘要：

  A collection of new oxypyridinium triflate reagents (1a-d) for the synthesis of halobenzyl ethers from alcohols under "mix-and-heat" conditions is described. The reagents are stable organic salts that can be stored indefinitely and handled without special precautions, making them attractive for general use in organic synthesis. Halobenzylation of representative alcohols occurs in good to excellent yield.

  DOI：

  10.1080/00397910701818362
• 作为产物：
  描述：

  2-(4-碘-苄氧基)-吡啶 、 三氟甲烷磺酸甲酯 以 甲苯 为溶剂， 以96%的产率得到2-(4-iodo-benzyloxy)-1-methylpyridinium triflate
  参考文献：
  名称：

  Stable Oxypyridinium Triflate (OPT) Salts for the Synthesis of Halobenzyl Ethers

  摘要：

  A collection of new oxypyridinium triflate reagents (1a-d) for the synthesis of halobenzyl ethers from alcohols under "mix-and-heat" conditions is described. The reagents are stable organic salts that can be stored indefinitely and handled without special precautions, making them attractive for general use in organic synthesis. Halobenzylation of representative alcohols occurs in good to excellent yield.

  DOI：

  10.1080/00397910701818362