1-(3-ethoxy-2'-(ethylthio)-5,6'-dihydroxy-3'-methyl-4'-(thiophen-2-yl)biphenyl-4-yl)ethanone | 1093742-77-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3-ethoxy-2'-(ethylthio)-5,6'-dihydroxy-3'-methyl-4'-(thiophen-2-yl)biphenyl-4-yl)ethanone
• 英文别名: 1-[2-Ethoxy-4-(2-ethylsulfanyl-6-hydroxy-3-methyl-4-thiophen-2-ylphenyl)-6-hydroxyphenyl]ethanone
• CAS: 1093742-77-8
• 化学式: C₂₃H₂₄O₄S₂
• 分子量: 428.573
• InChiKey: XDFGGIKJAKACCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  硝基乙烷 、 2-(4-acetyl-3-ethoxy-5-hydroxyphenyl)-1,1-bis(ethylsulfanyl)-5-thiophen-2-ylpenta-1,4-dien-3-one 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以87%的产率得到1-(3-ethoxy-2'-(ethylthio)-5,6'-dihydroxy-3'-methyl-4'-(thiophen-2-yl)biphenyl-4-yl)ethanone
  参考文献：
  名称：

  A New Route to Multifunctionalized p-Terphenyls and Heteroaryl Analogues via [5C + 1C(N)] Annulation Strategy

  摘要：

  p-Terphenyls and heteroaryl analogues including bipyridines were prepared via [5C + 1C(N)] annulation of alpha-aryl-alpha-alkenoyl ketene-(S,S)-acetals (five carbon 1,5-bielectrophilic species) with nitroethane or ammonium acetate, The reaction features mild conditions, multisubstitution, and functional group tolerance and is metal catalyst free. The present protocol provides, a new alternative to the conventional methodologies for the synthesis of teraryls.

  DOI：

  10.1021/jo802318p

文献信息

• A New Route to Multifunctionalized <i>p</i>-Terphenyls and Heteroaryl Analogues via [5C + 1C(N)] Annulation Strategy
  作者：Lei Zhang、Fushun Liang、Xin Cheng、Qun Liu

  DOI：10.1021/jo802318p

  日期：2009.1.16

  p-Terphenyls and heteroaryl analogues including bipyridines were prepared via [5C + 1C(N)] annulation of alpha-aryl-alpha-alkenoyl ketene-(S,S)-acetals (five carbon 1,5-bielectrophilic species) with nitroethane or ammonium acetate, The reaction features mild conditions, multisubstitution, and functional group tolerance and is metal catalyst free. The present protocol provides, a new alternative to the conventional methodologies for the synthesis of teraryls.