ethyl 4-(4'-isopropoxy-3'-methoxyphenyl)pyrrole-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ethyl 4-(4'-isopropoxy-3'-methoxyphenyl)pyrrole-2-carboxylate
• 英文别名: ethyl 4-(4-methoxy-3-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxylate
• 化学式: C₁₇H₂₁NO₄
• 分子量: 303.358
• InChiKey: APVMSRRLLHKIMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  60.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-乙基1-(2-甲基-2-丙基)4-溴-1H-吡咯-1,2-二羧酸酯 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 ethyl 4-(4'-isopropoxy-3'-methoxyphenyl)pyrrole-2-carboxylate
  参考文献：
  名称：

  An unusual dehalogenation in the Suzuki coupling of 4-bromopyrrole-2-carboxylates

  摘要：

  An unusual dehalogenation of 4-bromopyrrole-2-carboxylates under Suzuki coupling conditions has been observed. This dehalogenation can be suppressed by protection of the pyrrole nitrogen. Using a BOC protecting group, not only is dehalogenation suppressed, but the protecting group is also removed under the reaction conditions. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02615-1

文献信息

• An unusual dehalogenation in the Suzuki coupling of 4-bromopyrrole-2-carboxylates
  作者：S HANDY、H BREGMAN、J LEWIS、X ZHANG、Y ZHANG

  DOI：10.1016/s0040-4039(02)02615-1

  日期：2003.1.13

  An unusual dehalogenation of 4-bromopyrrole-2-carboxylates under Suzuki coupling conditions has been observed. This dehalogenation can be suppressed by protection of the pyrrole nitrogen. Using a BOC protecting group, not only is dehalogenation suppressed, but the protecting group is also removed under the reaction conditions. (C) 2002 Elsevier Science Ltd. All rights reserved.