Diethyl-carbamic acid 1-benzenesulfonyl-2,2,2-trifluoro-ethyl ester | 185025-51-8

• 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: Diethyl-carbamic acid 1-benzenesulfonyl-2,2,2-trifluoro-ethyl ester
• 英文别名: 1-(Benzenesulfonyl)-2,2,2-trifluoroethyl diethylcarbamate；[1-(benzenesulfonyl)-2,2,2-trifluoroethyl] N,N-diethylcarbamate
• CAS: 185025-51-8
• 化学式: C₁₃H₁₆F₃NO₄S
• 分子量: 339.336
• InChiKey: RGWFDWMKHUABHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 DMDO 作用下， 以 四氢呋喃 、 丙酮 、 xylene 为溶剂， 反应 4.0h， 生成 Diethyl-carbamic acid 1-benzenesulfonyl-2,2,2-trifluoro-ethyl ester
  参考文献：
  名称：

  On the preparation and unusual reactivity of a potential difluorodienophile

  摘要：

  Attempts to generate a difluorovinyl sulfone and to react it with cyclopentadiene were hindered by the formation of hydrofluorination products. An alpha-carbamoyloxy-beta,beta-difluoroethenyl phenyl sulfone has been prepared in high yield, but reactions with cyclopentadiene have given predominantly mono-fluorinated cycloadducts, via reduction of the difluorinated compound in situ. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0040-4039(96)01876-x

文献信息

• On the preparation and unusual reactivity of a potential difluorodienophile
  作者：P.J Crowley、J.M Percy、K Stansfield

  DOI：10.1016/0040-4039(96)01876-x

  日期：1996.11

  Attempts to generate a difluorovinyl sulfone and to react it with cyclopentadiene were hindered by the formation of hydrofluorination products. An alpha-carbamoyloxy-beta,beta-difluoroethenyl phenyl sulfone has been prepared in high yield, but reactions with cyclopentadiene have given predominantly mono-fluorinated cycloadducts, via reduction of the difluorinated compound in situ. Copyright (C) 1996 Elsevier Science Ltd.