1-[二氟(甲氧基)甲氧基]辛烷 | 1051374-86-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[二氟(甲氧基)甲氧基]辛烷
• 英文名称: 1-[difluoro(methoxy)methoxy]octane
• CAS: 1051374-86-7
• 化学式: C₁₀H₂₀F₂O₂
• 分子量: 210.264
• InChiKey: QFDPDNRZXNDGKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  14.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-[二氟(甲氧基)甲氧基]辛烷 在 水 作用下， 生成 碳酸甲基辛酯
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n
• 作为产物：
  描述：

  O-methyl O-octyl thiocarbonate 在 三氟化溴 作用下， 以 氯仿 为溶剂， 生成 1-[二氟(甲氧基)甲氧基]辛烷 、 碳酸甲基辛酯
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n