ethyl 4-nitro-3-difluoromethylhexanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 4-nitro-3-difluoromethylhexanoate
• 英文别名: Ethyl 3-(difluoromethyl)-4-nitrohexanoate；ethyl 3-(difluoromethyl)-4-nitrohexanoate
• 化学式: C₉H₁₅F₂NO₄
• 分子量: 239.219
• InChiKey: UWUAGVTVMVZKFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2E)-4,4-二氟-2-丁烯酸乙酯 、 硝基丙烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 以72%的产率得到ethyl 4-nitro-3-difluoromethylhexanoate
  参考文献：
  名称：

  The synthesis of fluorinated materials in microreactors

  摘要：

  Synthetic utilities of microreactor for the synthesis of fluorinated materials are described. In particular, synthesis of silylenol ether of 4,4,4-trifluorobutan-2-one and its synthetic application at room temperature. Further, nitroaldol reactions and Michael addition reaction in microreactor are convenient ways for the syntheses of difluoromethylated materials. (C) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.04.010

文献信息

• The synthesis of fluorinated materials in microreactors
  作者：Kouichi Kawai、Takuma Ebata、Tomoya Kitazume

  DOI：10.1016/j.jfluchem.2005.04.010

  日期：2005.6

  Synthetic utilities of microreactor for the synthesis of fluorinated materials are described. In particular, synthesis of silylenol ether of 4,4,4-trifluorobutan-2-one and its synthetic application at room temperature. Further, nitroaldol reactions and Michael addition reaction in microreactor are convenient ways for the syntheses of difluoromethylated materials. (C) 2005 Elsevier B.V. All rights reserved.