2-Allyl-2-(2-trifluoromethyl-allyl)-malononitrile | 693826-84-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Allyl-2-(2-trifluoromethyl-allyl)-malononitrile
• CAS: 693826-84-5
• 化学式: C₁₀H₉F₃N₂
• 分子量: 214.19
• InChiKey: DLPBWLJFFIIFBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47.58
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-Allyl-2-(2-trifluoromethyl-allyl)-malononitrile 在 Grubbs catalyst first generation 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以42%的产率得到3-Trifluoromethyl-cyclopent-3-ene-1,1-dicarbonitrile
  参考文献：
  名称：

  Fluorinated (hetero)cycles via ring-closing metathesis of fluoride- and trifluoromethyl-functionalized olefins

  摘要：

  Ring-closing metathesis(RCM) has been shown to be a viable tool to incorporate fluoride and trifluoromethyl substituents in (hetero)cyclic ring systems. 2-Fluoroacrylamides were cyclized to the corresponding lactams, and trifluoromethyl- substituted olefins were cyclized to yield trifluoromethylated cyclopentenes, pyrrolines and a dihydrofuran derivative. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.11.093
• 作为产物：
  描述：

  3-溴丙烯 、 丙二腈 、 2-(trifluoromethyl)allyl 4-methylbenzenesulfonate 生成 2-Allyl-2-(2-trifluoromethyl-allyl)-malononitrile
  参考文献：
  名称：

  Fluorinated (hetero)cycles via ring-closing metathesis of fluoride- and trifluoromethyl-functionalized olefins

  摘要：

  Ring-closing metathesis(RCM) has been shown to be a viable tool to incorporate fluoride and trifluoromethyl substituents in (hetero)cyclic ring systems. 2-Fluoroacrylamides were cyclized to the corresponding lactams, and trifluoromethyl- substituted olefins were cyclized to yield trifluoromethylated cyclopentenes, pyrrolines and a dihydrofuran derivative. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.11.093