Ethyl 2-[3,5-bis(5-bromo-3-ethoxycarbonylthiophen-2-yl)phenyl]-5-bromothiophene-3-carboxylate | 1315509-87-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: Ethyl 2-[3,5-bis(5-bromo-3-ethoxycarbonylthiophen-2-yl)phenyl]-5-bromothiophene-3-carboxylate
• 英文别名: ethyl 2-[3,5-bis(5-bromo-3-ethoxycarbonylthiophen-2-yl)phenyl]-5-bromothiophene-3-carboxylate
• CAS: 1315509-87-5
• 化学式: C₂₇H₂₁Br₃O₆S₃
• 分子量: 777.37
• InChiKey: CULHYEDRBBEUOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  164
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[3,5-bis(5-bromo-3-ethoxycarbonylthiophen-2-yl)phenyl]-5-bromothiophene-3-carboxylate 、 4-叔丁基苯硼酸 在 四(三苯基膦)钯 、 三叔丁基膦 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以82%的产率得到Ethyl 2-[3,5-bis[5-(4-tert-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]phenyl]-5-(4-tert-butylphenyl)thiophene-3-carboxylate
  参考文献：
  名称：

  Synthesis and Properties of Novel C₃-Symmetric Coplanar Chromophores

  摘要：

  New synthetic pathways for novel C-3-symmetric molecules featured with a thlophene-fused six-five-five carbon-bridged coplanar core structure have been established. The incorporation of thiophene as the constituent of a C-3-symmetric core provides effective modulation of the physical properties and imparts extra flexibility for pi-conjugated functionalization stemming from either the embedded thiophene or pendant aryl substitutions.

  DOI：

  10.1021/ol201466z
• 作为产物：
  描述：

  噻吩-3-甲酸乙酯 在 N-溴代丁二酰亚胺(NBS) 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成 Ethyl 2-[3,5-bis(5-bromo-3-ethoxycarbonylthiophen-2-yl)phenyl]-5-bromothiophene-3-carboxylate
  参考文献：
  名称：

  Synthesis and Properties of Novel C₃-Symmetric Coplanar Chromophores

  摘要：

  New synthetic pathways for novel C-3-symmetric molecules featured with a thlophene-fused six-five-five carbon-bridged coplanar core structure have been established. The incorporation of thiophene as the constituent of a C-3-symmetric core provides effective modulation of the physical properties and imparts extra flexibility for pi-conjugated functionalization stemming from either the embedded thiophene or pendant aryl substitutions.

  DOI：

  10.1021/ol201466z

文献信息

• Synthesis and Properties of Novel <i>C</i>₃-Symmetric Coplanar Chromophores
  作者：Jia-Hong Chen、Shao-An Wang、Yi-Hung Liu、Ken-Tsung Wong

  DOI：10.1021/ol201466z

  日期：2011.8.19

  New synthetic pathways for novel C-3-symmetric molecules featured with a thlophene-fused six-five-five carbon-bridged coplanar core structure have been established. The incorporation of thiophene as the constituent of a C-3-symmetric core provides effective modulation of the physical properties and imparts extra flexibility for pi-conjugated functionalization stemming from either the embedded thiophene or pendant aryl substitutions.