[1,1,1-trifluoro-2-(4-methoxylphenyl)pent-4-ene-2-ylsulfonyl]benzene | 1402748-68-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [1,1,1-trifluoro-2-(4-methoxylphenyl)pent-4-ene-2-ylsulfonyl]benzene
• 英文别名: 1-[2-(Benzenesulfonyl)-1,1,1-trifluoropent-4-en-2-yl]-4-methoxybenzene；1-[2-(benzenesulfonyl)-1,1,1-trifluoropent-4-en-2-yl]-4-methoxybenzene
• CAS: 1402748-68-8
• 化学式: C₁₈H₁₇F₃O₃S
• 分子量: 370.392
• InChiKey: CABIZFXJPGTGCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl phenyl sulfide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 间氯过氧苯甲酸 、 1,2-双(二苯基膦)乙烷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 [1,1,1-trifluoro-2-(4-methoxylphenyl)pent-4-ene-2-ylsulfonyl]benzene
  参考文献：
  名称：

  Decarboxylative Allylation of Trifluoroethyl Sulfones and Approach to Difluoromethyl Compounds

  摘要：

  Ally, carbonates undergo palladium-catalyzed decarboxylative allylation of trifluoroethyl phenyl sulfones. The success of the allylation, which is not efficient under typical strong base-mediated conditions, is the result of mild conditions thanks to a progressive delivery of ethoxide. Indeed, ethyl allyl carbonates act as a latent source of ethoxide for generation of the trifluoroethyl carbanion that reacts with the pi-allylpalladium complex. The utility of the method is illustrated in a new approach to difluoromethyl compounds.

  DOI：

  10.1021/ol302589w

文献信息

• Decarboxylative Allylation of Trifluoroethyl Sulfones and Approach to Difluoromethyl Compounds
  作者：Norio Shibata、Kazunobu Fukushi、Tatsuya Furukawa、Satoru Suzuki、Etsuko Tokunaga、Dominique Cahard

  DOI：10.1021/ol302589w

  日期：2012.10.19

  Ally, carbonates undergo palladium-catalyzed decarboxylative allylation of trifluoroethyl phenyl sulfones. The success of the allylation, which is not efficient under typical strong base-mediated conditions, is the result of mild conditions thanks to a progressive delivery of ethoxide. Indeed, ethyl allyl carbonates act as a latent source of ethoxide for generation of the trifluoroethyl carbanion that reacts with the pi-allylpalladium complex. The utility of the method is illustrated in a new approach to difluoromethyl compounds.