2,2,2-trichloro-1-[5-[4-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]heptan-4-yl]-1H-pyrrol-2-yl]ethanone | 528812-49-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,2-trichloro-1-[5-[4-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]heptan-4-yl]-1H-pyrrol-2-yl]ethanone
• CAS: 528812-49-9
• 化学式: C₁₉H₂₀Cl₆N₂O₂
• 分子量: 521.098
• InChiKey: NPKVHWYUQIODKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  65.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,2-trichloro-1-[5-[4-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]heptan-4-yl]-1H-pyrrol-2-yl]ethanone 、 正丁醇 在 sodium phenoxide 作用下， 以55%的产率得到butyl 5-[4-(5-butoxycarbonyl-1H-pyrrol-2-yl)heptan-4-yl]-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  Electrophilic substitution reactions of dipyrroheptane

  摘要：

  Dipyrroheptanes have been reacted with a number of electrophiles, including aryldiazonium salts, acyl chlorides and isocyanates to give selectively the mono- or disubstituted derivatives. The bis(trichloroacetyl) dipyrroheptane can be used for the synthesis of amide and ester derivatives. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02521-2
• 作为产物：
  描述：

  4-庚酮 在 三氟乙酸 作用下， 生成 2,2,2-trichloro-1-[5-[4-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]heptan-4-yl]-1H-pyrrol-2-yl]ethanone
  参考文献：
  名称：

  Electrophilic substitution reactions of dipyrroheptane

  摘要：

  Dipyrroheptanes have been reacted with a number of electrophiles, including aryldiazonium salts, acyl chlorides and isocyanates to give selectively the mono- or disubstituted derivatives. The bis(trichloroacetyl) dipyrroheptane can be used for the synthesis of amide and ester derivatives. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02521-2

文献信息

• Electrophilic substitution reactions of dipyrroheptane
  作者：Stefaan Depraetere、Wim Dehaen

  DOI：10.1016/s0040-4039(02)02521-2

  日期：2003.1

  Dipyrroheptanes have been reacted with a number of electrophiles, including aryldiazonium salts, acyl chlorides and isocyanates to give selectively the mono- or disubstituted derivatives. The bis(trichloroacetyl) dipyrroheptane can be used for the synthesis of amide and ester derivatives. (C) 2002 Elsevier Science Ltd. All rights reserved.