1,1,1,5,5,5-Hexafluoro-3-(4-methoxy-benzylidene)-pentane-2,4-dione | 172656-99-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1,1,1,5,5,5-Hexafluoro-3-(4-methoxy-benzylidene)-pentane-2,4-dione
• 英文别名: 1,1,1,5,5,5-Hexafluoro-3-[(4-methoxyphenyl)methylidene]pentane-2,4-dione；1,1,1,5,5,5-hexafluoro-3-[(4-methoxyphenyl)methylidene]pentane-2,4-dione
• CAS: 172656-99-4
• 化学式: C₁₃H₈F₆O₃
• 分子量: 326.195
• InChiKey: NWTUYZYUGUOBIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  cyanomethyltriphenylarsonium bromide 、 1,1,1,5,5,5-Hexafluoro-3-(4-methoxy-benzylidene)-pentane-2,4-dione 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以50%的产率得到4-(2-cyano-1-trifluoromethyl-vinyl)-3-(4-methoxy-phenyl)-5-trifluoromethyl-2,3-dihydrofuran-2-carbonitrile
  参考文献：
  名称：

  A novel and facile synthesis of 2,3-dihydrofuran derivatives containing trifluoromethyl group

  摘要：

  A series of CF3-containing 2,3-dihydrofuran derivatives were prepared via the reaction of arsonium bromides 1 with beta,beta-di(trifluoroacetyl)ethylene derivatives 2 in the presence of K2CO3, usually in a stereoselective manner with moderate yields. The structures of these compounds were confirmed by H-1 NMR, C-13 NMR, IR, MS and HRMS as well. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2006.12.006
• 作为产物：
  描述：

  六氟乙酰丙酮 、 4-甲氧基苯甲醛 在 乙酸酐 作用下， 反应 8.0h， 以85%的产率得到1,1,1,5,5,5-Hexafluoro-3-(4-methoxy-benzylidene)-pentane-2,4-dione
  参考文献：
  名称：

  合成和β的反应，β二（三氟乙酰基）乙烯衍生物，（CF 3 CO）2 CCR 1 - [R 2

  摘要：

  1,1,1,5,5,5-六氟-2,4-戊二酮与芳族醛，甲酸烷基酯和N，N-二烷基酰胺在乙酸酐中的反应生成β，β-二（三氟乙酰基）乙烯衍生物， （CF 3 CO）2 CCR 1 - [R 2，其与含有活泼氢如ARSH，HP（O）（OR）的亲核一些容易反应2得到相应的加成产物。当用3，4-二氢-2 H-吡喃处理时，形成环加成产物。

  DOI：

  10.1016/0022-1139(95)03296-p

文献信息

• Synthesis and reaction of β,β-di(trifluoroacetyl) ethylene derivatives, (CF3CO)2CCR1R2
  作者：ShiZheng Zhu、Bin Xu、Jie Zhang

  DOI：10.1016/0022-1139(95)03296-p

  日期：1995.10

  Reaction of 1,1,1,5,5,5-hexafluoro-2,4-pentanedione with aromatic aldehydes, alkyl formate and N,N-dialkyl amides in acetic acid anhydride gave β,β-di(trifluoroacetyl) ethylene derivatives, (CF3CO)2CCR1R2, which reacted readily with some nucleophiles containing reactive hydrogen such as ArSH, HP (O) (OR)2 giving the corresponding addition product. When treated with 3,4-dihydro-2H-pyran, a cycloaddition

  1,1,1,5,5,5-六氟-2,4-戊二酮与芳族醛，甲酸烷基酯和N，N-二烷基酰胺在乙酸酐中的反应生成β，β-二（三氟乙酰基）乙烯衍生物， （CF 3 CO）2 CCR 1 - [R 2，其与含有活泼氢如ARSH，HP（O）（OR）的亲核一些容易反应2得到相应的加成产物。当用3，4-二氢-2 H-吡喃处理时，形成环加成产物。
• A novel and facile synthesis of 2,3-dihydrofuran derivatives containing trifluoromethyl group
  作者：Jiaxian Qian、Weiguo Cao、Hui Zhang、Jie Chen、Shizheng Zhu

  DOI：10.1016/j.jfluchem.2006.12.006

  日期：2007.3

  A series of CF3-containing 2,3-dihydrofuran derivatives were prepared via the reaction of arsonium bromides 1 with beta,beta-di(trifluoroacetyl)ethylene derivatives 2 in the presence of K2CO3, usually in a stereoselective manner with moderate yields. The structures of these compounds were confirmed by H-1 NMR, C-13 NMR, IR, MS and HRMS as well. (c) 2006 Elsevier B.V. All rights reserved.