phenyl(pentafluoroethyloxymethyl)ketone | 1369761-89-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: phenyl(pentafluoroethyloxymethyl)ketone
• 英文别名: 2-(1,1,2,2,2-Pentafluoroethoxy)-1-phenylethanone
• CAS: 1369761-89-6
• 化学式: C₁₀H₇F₅O₂
• 分子量: 254.156
• InChiKey: XGADNHHCTLVIOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  phenyl(pentafluoroethyloxymethyl)ketone 在 乙酸肼 、 三氟乙酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 17.0h， 生成 4-pentafluoroethoxy-5-phenyl-1H-pyrazole
  参考文献：
  名称：

  Polyfluoro- and perfluoroalkoxyenaminones in syntheses of nitrogen containing heterocycles

  摘要：

  2-Fluoroalkoxyenaminones were synthesized from alpha-fluoroalkoxyacetophenones and dimethylformamide dimethylacetal in almost quantitative yields. These compounds are promising aliphatic precursors for fluoroalkoxy containing heterocycles construction that was proved by reactions with hydrazine, hydroxylamine and amidines yielding corresponding pyrazoles, isoxazoles and pyrimidines. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.11.007
• 作为产物：
  描述：

  cesium pentafluoroethanolate 、 2-溴苯乙酮 以 乙二醇二甲醚 为溶剂， 反应 24.0h， 以2.99 g的产率得到phenyl(pentafluoroethyloxymethyl)ketone
  参考文献：
  名称：

  Efficient synthesis of 5′-fluoroalkoxythiazoles via α-bromo-α-fluoroalkoxyacetophenones Hantzsch type cyclization with thioureas or thioamides

  摘要：

  Novel alpha-fluoroalkoxyacetophenones were synthesized by addition of the readily available 2,2-dimethoxy-2-phenylethanol to fluoroolefins. alpha-Bromination yielded alpha-bromo-alpha-fluoroalkoxyacetophenones, which on treatment with thioureas or thioamides gave thiazoles with fluoroalkoxy groups at the 5'-position by the Hantzsch-type cyclization. This provides a versatile methodology for the construction of heterocycles from aliphatic fluoroalkoxy containing building blocks. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.01.005