2-(3-carbethoxy-4-propyl-2-pyrrolyl)-5-(4-propyl-2-pyrrolyl)thiophene | 142038-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(3-carbethoxy-4-propyl-2-pyrrolyl)-5-(4-propyl-2-pyrrolyl)thiophene
• 英文别名: ethyl 4-propyl-2-[5-(4-propyl-1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrrole-3-carboxylate
• CAS: 142038-37-7
• 化学式: C₂₁H₂₆N₂O₂S
• 分子量: 370.516
• InChiKey: MRYFLFSDQWOVFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  86.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丁酰乙酸乙酯 在 劳森试剂 、 sodium hydroxide 、 磺酰氯 、 3,4-二甲基-5-(2-羟乙基)碘代噻唑 、 溶剂黄146 、 三乙胺 、 锌 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 5.0~240.0 ℃ 、13.33 Pa 条件下， 反应 52.0h， 生成 2-(3-carbethoxy-4-propyl-2-pyrrolyl)-5-(4-propyl-2-pyrrolyl)thiophene
  参考文献：
  名称：

  Synthesis and characterization of a new 26.pi.-aromatic thiophene-containing macrocyclic ligand

  摘要：

  A new porphyrin-like or ''pentaplanar'' macrocyclic ligand (9) has been synthesized by a McMurray coupling of 2,5-bis(5-formyl-4-propyl-2-pyrrolyl)thiophene, followed by air oxidation in chloroform. This highly stable macrocycle is aromatic, as evidenced by its UV-visible and H-1 NMR spectra. The pathway to 9 as well as the synthesis of two asymmetric dipyrrolylthiophenes is also described.

  DOI：

  10.1021/jo00042a019

文献信息

• Synthesis and characterization of a new 26.pi.-aromatic thiophene-containing macrocyclic ligand
  作者：Martin R. Johnson、Douglas C. Miller、Kristine Bush、John J. Becker、James A. Ibers

  DOI：10.1021/jo00042a019

  日期：1992.7

  A new porphyrin-like or ''pentaplanar'' macrocyclic ligand (9) has been synthesized by a McMurray coupling of 2,5-bis(5-formyl-4-propyl-2-pyrrolyl)thiophene, followed by air oxidation in chloroform. This highly stable macrocycle is aromatic, as evidenced by its UV-visible and H-1 NMR spectra. The pathway to 9 as well as the synthesis of two asymmetric dipyrrolylthiophenes is also described.