Diethyl-carbamic acid 1-benzenesulfonyl-2,2-difluoro-vinyl ester | 185025-47-2

• 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-difluoro-vinyl ester
• 英文别名: [1-(benzenesulfonyl)-2,2-difluoroethenyl] N,N-diethylcarbamate
• CAS: 185025-47-2
• 化学式: C₁₃H₁₅F₂NO₄S
• 分子量: 319.329
• InChiKey: QJZVYKITTNSTQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Diethyl-carbamic acid 1-benzenesulfonyl-2,2-difluoro-vinyl ester 在 呋喃 作用下， 以 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
• 作为产物：
  描述：

  1-(N,N-Diethylcarbamoyloxy)-2,2-difluoro-1-(tributylstannyl)ethene 在 正丁基锂 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 Diethyl-carbamic acid 1-benzenesulfonyl-2,2-difluoro-vinyl 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