ethyl 2-dichloroacetyl-3-diethylaminoacrylate | 1171114-12-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-dichloroacetyl-3-diethylaminoacrylate
• 英文别名: Ethyl 4,4-dichloro-2-(diethylaminomethylidene)-3-oxobutanoate
• CAS: 1171114-12-7
• 化学式: C₁₁H₁₇Cl₂NO₃
• 分子量: 282.167
• InChiKey: QKWRHRJRCWYLBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-dichloroacetyl-3-diethylaminoacrylate 、 甲基肼 以 甲苯 为溶剂， 反应 3.0h， 生成 3-(二氯甲基)-1-甲基-1H-吡唑-4-羧酸乙酯 、 ethyl 5-dichloromethyl-1-methyl-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  Microwave-assisted aliphatic fluorine–chlorine exchange using triethylamine trihydrofluoride (TREAT-HF)

  摘要：

  Aliphatic fluorine-chlorine exchange reactions can be performed under microwave conditions using TREAT-HF as a mild and selective fluorination reagent. The highly POW TREAT-HF Couples efficiently with microwave irradiation and reaction temperatures of 250 degrees C can be reached within 30 s. Under these conditions dichloromethyl- and trichlorornethyl substrates can be converted into the corresponding fluoro analogs within 5 min. In order to prevent corrosion of borosilicate reaction vessel at high temperatures the use of sintered silicon carbide microwave vials is introduced. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.103
• 作为产物：
  描述：

  二氯乙酰氯 、 ethyl 3-(diethylamino)acrylate 在 碳酸甲丙酯 作用下， 以 甲苯 为溶剂， 反应 1.5h， 以100%的产率得到ethyl 2-dichloroacetyl-3-diethylaminoacrylate
  参考文献：
  名称：

  Microwave-assisted aliphatic fluorine–chlorine exchange using triethylamine trihydrofluoride (TREAT-HF)

  摘要：

  Aliphatic fluorine-chlorine exchange reactions can be performed under microwave conditions using TREAT-HF as a mild and selective fluorination reagent. The highly POW TREAT-HF Couples efficiently with microwave irradiation and reaction temperatures of 250 degrees C can be reached within 30 s. Under these conditions dichloromethyl- and trichlorornethyl substrates can be converted into the corresponding fluoro analogs within 5 min. In order to prevent corrosion of borosilicate reaction vessel at high temperatures the use of sintered silicon carbide microwave vials is introduced. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.103