1,4-bis<4-ethoxycarbonyl-4-(N-acetyl)pent-1-yn-1-yl>benzene | 141889-66-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,4-bis<4-ethoxycarbonyl-4-(N-acetyl)pent-1-yn-1-yl>benzene
• 英文别名: Ethyl 2-acetamido-5-[4-(4-acetamido-5-ethoxy-5-oxo-pent-1-ynyl)phenyl]pent-4-ynoate；ethyl 2-acetamido-5-[4-(4-acetamido-5-ethoxy-5-oxopent-1-ynyl)phenyl]pent-4-ynoate
• CAS: 141889-66-9
• 化学式: C₂₄H₂₈N₂O₆
• 分子量: 440.496
• InChiKey: SEVRMINZSVYOHF-UHFFFAOYSA-N

物化性质

• 沸点：
  680.8±55.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,4-二碘苯 、 2-(乙酰氨基)-4-戊炔酸乙酯 在 四(三苯基膦)钯 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以71%的产率得到1,4-bis<4-ethoxycarbonyl-4-(N-acetyl)pent-1-yn-1-yl>benzene
  参考文献：
  名称：

  Palladium-catalyzed coupling of a propargylglycine derivative.

  摘要：

  The coupling of aryl or vinyl halides and triflates with a propargylglycine derivative under the influence of a palladium catalyst has been described. The coupling is compatible with a variety of structural types and functional groups. The coupling was also carried out an optically-active propargylglycine derivative and the products were optically active.

  DOI：

  10.1016/s0040-4020(01)92261-6

文献信息

• Palladium-catalyzed coupling of a propargylglycine derivative.
  作者：Geoffrey T. Crisp、Thomas A. Robertson

  DOI：10.1016/s0040-4020(01)92261-6

  日期：1992.4

  The coupling of aryl or vinyl halides and triflates with a propargylglycine derivative under the influence of a palladium catalyst has been described. The coupling is compatible with a variety of structural types and functional groups. The coupling was also carried out an optically-active propargylglycine derivative and the products were optically active.