ethyl (2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dienoate | 1219604-23-5

• 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 (2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dienoate
• CAS: 1219604-23-5
• 化学式: C₉H₁₁F₃O₂
• 分子量: 208.18
• InChiKey: DWURTDVKRXPCPG-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-羟基-2-(三氟甲基)-4-甲基-4-戊酸乙酯 在 硫酰氟 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 、 ethyl (2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dienoate
  参考文献：
  名称：

  PROCESS FOR PRODUCING ALPHA-TRIFLUOROMETHYL-ALPHA,BETA-UNSATURATED ESTER

  摘要：

  公开号：

  EP2332902B1

文献信息

• PROCESS FOR PRODUCING -TRIFLUOROMETHYL- , -UNSATURATED ESTER
  申请人：Central Glass Company, Limited

  公开号：EP2332902A1

  公开（公告）日：2011-06-15

  An α-trifluoromethyl-α,β-unsaturated ester can be produced by reacting an α-trifluoromethyl-α-hydroxy ester with sulfuryl fluoride (SO2F2) in the presence of an organic base. It is preferable that the raw substrate has a hydrogen atom as one β-position substituent group and either an alkyl group, a substituted alkyl group, an alkenyl group, a substituted alkenyl group, an aromatic ring group or a substituted aromatic ring group as the other β-position substituent group. It is more preferable that an ester moiety of the raw substrate is an alkyl ester. This raw substrate is readily available. Further, the desired reaction can proceed favorably with the use of this raw substrate. It is also preferable to use either 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) or 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) as the organic base. The desired reaction can proceed more favorably with the use of this organic base.

  α-三氟甲基-α，β-不饱和酯可以通过α-三氟甲基-α-羟基酯与氟化硫（SO2F2）在有机碱存在下反应制得。原料基质的一个 β 位取代基最好是氢原子，另一个 β 位取代基最好是烷基、取代烷基、烯基、取代烯基、芳环基或取代芳环基。原底物的酯基最好是烷基酯。这种原料底物很容易获得。此外，使用这种原料底物可以使所需反应顺利进行。此外，最好使用 1,5-二氮杂双环[4.3.0]壬-5-烯（DBN）或 1,8-二氮杂双环[5.4.0]十一-7-烯（DBU）作为有机碱。使用这种有机碱可以更顺利地进行所需的反应。
• Process for Producing alpha-Trifluoromethyl-alpha,beta-Unsaturated Ester
  申请人：Ishii Akihiro

  公开号：US20110160477A1

  公开（公告）日：2011-06-30

  An α-trifluoromethyl-α,β-unsaturated ester can be produced by reacting an α-trifluoromethyl-α-hydroxy ester with sulfuryl fluoride (SO 2 F 2 ) in the presence of an organic base. It is preferable that the raw substrate has a hydrogen atom as one β-position substituent group and either an alkyl group, a substituted alkyl group, an alkenyl group, a substituted alkenyl group, an aromatic ring group or a substituted aromatic ring group as the other β-position substituent group. It is more preferable that an ester moiety of the raw substrate is an alkyl ester. This raw substrate is readily available. Further, the desired reaction can proceed favorably with the use of this raw substrate. It is also preferable to use either 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) or 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) as the organic base. The desired reaction can proceed more favorably with the use of this organic base.
• US8653295B2
  申请人：——

  公开号：US8653295B2

  公开（公告）日：2014-02-18