ethyl N-dodecyl-5-(thiophen-2-yl)-3,4-(propylene-1,3-dioxy)pyrrole-2-carboxylate | 1218780-35-8

• 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 N-dodecyl-5-(thiophen-2-yl)-3,4-(propylene-1,3-dioxy)pyrrole-2-carboxylate
• 英文别名: ethyl 7-dodecyl-8-thiophen-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyrrole-6-carboxylate
• CAS: 1218780-35-8
• 化学式: C₂₆H₃₉NO₄S
• 分子量: 461.666
• InChiKey: HMKIKJJUHVESEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  32
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-溴噻吩 、 N-dodecyl-5-(ethoxycarbonyl)-3,4-(propylene-1,3-dioxy)pyrrole-2-carboxylic acid 在 bis(acetylacetonato)palladium(II) 、 potassium tert-butylate 、 四丁基溴化铵 、 sodium 3-(diphenylphosphanyl)benzenesulfonate 作用下， 以 甲苯 为溶剂， 以87%的产率得到ethyl N-dodecyl-5-(thiophen-2-yl)-3,4-(propylene-1,3-dioxy)pyrrole-2-carboxylate
  参考文献：
  名称：

  3,4-Propylenedioxypyrrole-Based Conjugated Oligomers via Pd-Mediated Decarboxylative Cross Coupling

  摘要：

  An effective decarboxylative cross-coupling involving a 3,4-dioxypyrrole is reported. Several conjugated oligomers were synthesized in high yields using various aryl bromides. No copper salt or other transmetalating agent was required. The reaction conditions employed displayed relatively low sensitivity toward the presence of water.

  DOI：

  10.1021/ol100231g

文献信息

• 3,4-Propylenedioxypyrrole-Based Conjugated Oligomers <i>via</i> Pd-Mediated Decarboxylative Cross Coupling
  作者：Frank A. Arroyave、John R. Reynolds

  DOI：10.1021/ol100231g

  日期：2010.3.19

  An effective decarboxylative cross-coupling involving a 3,4-dioxypyrrole is reported. Several conjugated oligomers were synthesized in high yields using various aryl bromides. No copper salt or other transmetalating agent was required. The reaction conditions employed displayed relatively low sensitivity toward the presence of water.