tris(2,2,2-trifluoroethoxy)methylphosphonium triflate | 134751-06-7

• 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: tris(2,2,2-trifluoroethoxy)methylphosphonium triflate
• CAS: 134751-06-7
• 化学式: CF₃O₃S*C₇H₉F₉O₃P
• 分子量: 492.176
• InChiKey: JWCBLZCIEIGFBO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  84.89
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tris(2,2,2-trifluoroethoxy)methylphosphonium triflate 在 异丙醇 作用下， 以89%的产率得到双(2,2,2-三氟乙基)甲基磷酸酯
  参考文献：
  名称：

  Tris(fluoroalkoxy)methylphosphonium salts in the synthesis of methylphosphoranes

  摘要：

  The reactions of phosphites containing electron-withdrawing fluoroalkyl groups with methyl triflate gave tris(fluoroalkoxy)methylphosphonium triflates, which react with alcohols to give either tetrakis(fluoroalkoxy)methylphosphoranes (in the case of fluoroalcohols) or alkylation products - ethers and bis(fluoroalkoxy)methylphosphonates (in the case of unsubstituted alcohols). The structures of the phosphonium salts and phosphoranes were supported by H-1 and P-31 NMR spectroscopy.

  DOI：

  10.1007/bf00958586
• 作为产物：
  描述：

  三(2,2,2-三氟乙基)亚磷酸酯 、 三氟甲烷磺酸甲酯 反应 48.0h， 以78%的产率得到tris(2,2,2-trifluoroethoxy)methylphosphonium triflate
  参考文献：
  名称：

  Tris(fluoroalkoxy)methylphosphonium salts in the synthesis of methylphosphoranes

  摘要：

  The reactions of phosphites containing electron-withdrawing fluoroalkyl groups with methyl triflate gave tris(fluoroalkoxy)methylphosphonium triflates, which react with alcohols to give either tetrakis(fluoroalkoxy)methylphosphoranes (in the case of fluoroalcohols) or alkylation products - ethers and bis(fluoroalkoxy)methylphosphonates (in the case of unsubstituted alcohols). The structures of the phosphonium salts and phosphoranes were supported by H-1 and P-31 NMR spectroscopy.

  DOI：

  10.1007/bf00958586