pentafluorophenyl 1H-pyrrole-3-butyrate | 300655-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: pentafluorophenyl 1H-pyrrole-3-butyrate
• 英文别名: (2,3,4,5,6-pentafluorophenyl) 4-(1H-pyrrol-3-yl)butanoate
• CAS: 300655-18-9
• 化学式: C₁₄H₁₀F₅NO₂
• 分子量: 319.231
• InChiKey: IJEWNSBRLTYSOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-氨基丁腈 、 pentafluorophenyl 1H-pyrrole-3-butyrate 以 四氢呋喃 为溶剂， 反应 18.0h， 以98%的产率得到N-(3-cyanopropyl)-2-pyrrol-3-ylacetamide
  参考文献：
  名称：

  Strategies towards functionalised electronically conducting organic copolymers: Part 2. Copolymerisation

  摘要：

  Here we discuss the application of X-ray photoelectron spectroscopy and absorbance-reflectance FT-IR spectroscopy to establish and quantify reactivity relationships between a range of thiophene and pyrrole monomers. In particular we investigate the application of these techniques to the characterisation of conducting polymer materials grown potentiostatically from solutions containing a binary mixture of monomers. Our data have shown that XPS is especially effective in determining polymer composition and the linear correlation between this and solution composition has enabled prescriptive synthesis of copolymer materials from the different combinations of monomers described here. This technique is much more convenient and more reliable than elemental analysis. In contrast we show that FT-IR studies, whilst providing a useful qualitative guide to the functional group content of the material, do not facilitate detailed quantitative analysis because of large intrinsic errors.

  DOI：

  10.1039/b001279n
• 作为产物：
  描述：

  4-氧-4-[1-(苯磺酰基)-1H-吡咯-3-基]丁酸 在 盐酸 、 sodium hydroxide 、 amalgamated zinc 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 水 、 甲苯 、 乙腈 为溶剂， 反应 43.0h， 生成 pentafluorophenyl 1H-pyrrole-3-butyrate
  参考文献：
  名称：

  Strategies towards functionalised electronically conducting organic copolymers: Part 2. Copolymerisation

  摘要：

  Here we discuss the application of X-ray photoelectron spectroscopy and absorbance-reflectance FT-IR spectroscopy to establish and quantify reactivity relationships between a range of thiophene and pyrrole monomers. In particular we investigate the application of these techniques to the characterisation of conducting polymer materials grown potentiostatically from solutions containing a binary mixture of monomers. Our data have shown that XPS is especially effective in determining polymer composition and the linear correlation between this and solution composition has enabled prescriptive synthesis of copolymer materials from the different combinations of monomers described here. This technique is much more convenient and more reliable than elemental analysis. In contrast we show that FT-IR studies, whilst providing a useful qualitative guide to the functional group content of the material, do not facilitate detailed quantitative analysis because of large intrinsic errors.

  DOI：

  10.1039/b001279n

文献信息

• Strategies towards functionalised electronically conducting organic copolymers: Part 2. Copolymerisation
  作者：Karl S. Ryder、Lutz F. Schweiger、Andrew Glidle、Jon. M. Cooper

  DOI：10.1039/b001279n

  日期：——

  Here we discuss the application of X-ray photoelectron spectroscopy and absorbance-reflectance FT-IR spectroscopy to establish and quantify reactivity relationships between a range of thiophene and pyrrole monomers. In particular we investigate the application of these techniques to the characterisation of conducting polymer materials grown potentiostatically from solutions containing a binary mixture of monomers. Our data have shown that XPS is especially effective in determining polymer composition and the linear correlation between this and solution composition has enabled prescriptive synthesis of copolymer materials from the different combinations of monomers described here. This technique is much more convenient and more reliable than elemental analysis. In contrast we show that FT-IR studies, whilst providing a useful qualitative guide to the functional group content of the material, do not facilitate detailed quantitative analysis because of large intrinsic errors.