2,4-Di-2-thienyl-1-(3-thienyl)-1,4-butanedione | 134628-90-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4-Di-2-thienyl-1-(3-thienyl)-1,4-butanedione
• 英文别名: 2,4-Di(2-thienyl)-1-(3-thienyl)-1,4-butanedione；2,4-dithiophen-2-yl-1-thiophen-3-ylbutane-1,4-dione
• CAS: 134628-90-3
• 化学式: C₁₆H₁₂O₂S₃
• 分子量: 332.468
• InChiKey: ONLGAPULPXHIOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4-Di-2-thienyl-1-(3-thienyl)-1,4-butanedione 在 tetraphosphorus decasulfide 、 碳酸氢钠 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以76%的产率得到5'-(3-Thienyl)-2,2':4',2''-terthiophene
  参考文献：
  名称：

  Synthesis of the first branched quaterthienyls

  摘要：

  The first synthesis of four of the 16 possible isomeric branched quarterthienyls (thienylterthiophenes) is reported. Thus, 5'-(2-thienyl)-2,2':3',2''-terthiophene, 5'-(2-thienyl)-2,2':3',3''-terthiophene, 5'-(3-thienyl)-2,2':4',2''-terthiophene, and 5'-(3-thienyl)-2,2':4',3''-terthiophene, 2a-5a, were synthesized from the respective trithienyl-1,4-butanediones 10-13, which were obtained in good yield via the Stetter reaction. The structures of 2a-5a were supported by 2D COSY spectra.

  DOI：

  10.1021/jo00017a019
• 作为产物：
  描述：

  3-噻吩甲醛 、 1,3-二-2-噻吩基-2-丙烯醛基-1-酮 在 3,4-二甲基-5-(2-羟乙基)碘代噻唑 、 三乙胺 作用下， 以 乙醇 为溶剂， 以86%的产率得到2,4-Di-2-thienyl-1-(3-thienyl)-1,4-butanedione
  参考文献：
  名称：

  Synthesis of the first branched quaterthienyls

  摘要：

  The first synthesis of four of the 16 possible isomeric branched quarterthienyls (thienylterthiophenes) is reported. Thus, 5'-(2-thienyl)-2,2':3',2''-terthiophene, 5'-(2-thienyl)-2,2':3',3''-terthiophene, 5'-(3-thienyl)-2,2':4',2''-terthiophene, and 5'-(3-thienyl)-2,2':4',3''-terthiophene, 2a-5a, were synthesized from the respective trithienyl-1,4-butanediones 10-13, which were obtained in good yield via the Stetter reaction. The structures of 2a-5a were supported by 2D COSY spectra.

  DOI：

  10.1021/jo00017a019

文献信息

• Synthesis of the first branched quaterthienyls
  作者：Daniel M. Perrine、David M. Bush、Eugene P. Kornak、Ming Zhang、Young H. Cho、Jacques Kagan

  DOI：10.1021/jo00017a019

  日期：1991.8

  The first synthesis of four of the 16 possible isomeric branched quarterthienyls (thienylterthiophenes) is reported. Thus, 5'-(2-thienyl)-2,2':3',2''-terthiophene, 5'-(2-thienyl)-2,2':3',3''-terthiophene, 5'-(3-thienyl)-2,2':4',2''-terthiophene, and 5'-(3-thienyl)-2,2':4',3''-terthiophene, 2a-5a, were synthesized from the respective trithienyl-1,4-butanediones 10-13, which were obtained in good yield via the Stetter reaction. The structures of 2a-5a were supported by 2D COSY spectra.