diethyl 5,5'-(5,5'-(2,5-bis(dodecyloxy)-1,4-phenylene)bis(thiophene-5,2-diyl))bis(N-dodecyl-3,4-(propylene-1,3-dioxy)pyrrole-2-carboxylate) | 1218780-33-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: diethyl 5,5'-(5,5'-(2,5-bis(dodecyloxy)-1,4-phenylene)bis(thiophene-5,2-diyl))bis(N-dodecyl-3,4-(propylene-1,3-dioxy)pyrrole-2-carboxylate)
• 英文别名: ethyl 8-[5-[2,5-didodecoxy-4-[5-(7-dodecyl-6-ethoxycarbonyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyrrol-8-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-7-dodecyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyrrole-6-carboxylate
• CAS: 1218780-33-6
• 化学式: C₈₂H₁₂₈N₂O₁₀S₂
• 分子量: 1366.06
• InChiKey: PKICZXDJOPGESU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.9
• 重原子数：
  96
• 可旋转键数：
  56
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  174
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-Bromo-5-[4-(5-bromothiophen-2-yl)-2,5-didodecoxyphenyl]thiophene 、 potassium N-dodecyl-5-(ethoxycarbonyl)-3,4-(propylene-1,3-dioxy)pyrrole-2-carboxylate 在 N-甲基吡咯烷酮 、 bis(acetylacetonato)palladium(II) 、 三(邻甲基苯基)磷 作用下， 以96%的产率得到diethyl 5,5'-(5,5'-(2,5-bis(dodecyloxy)-1,4-phenylene)bis(thiophene-5,2-diyl))bis(N-dodecyl-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.