Ethyl 2-[3,5-bis[5-(4-tert-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]phenyl]-5-(4-tert-butylphenyl)thiophene-3-carboxylate | 1315509-88-6

• 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: Ethyl 2-[3,5-bis[5-(4-tert-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]phenyl]-5-(4-tert-butylphenyl)thiophene-3-carboxylate
• 英文别名: ethyl 2-[3,5-bis[5-(4-tert-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]phenyl]-5-(4-tert-butylphenyl)thiophene-3-carboxylate
• CAS: 1315509-88-6
• 化学式: C₅₇H₆₀O₆S₃
• 分子量: 937.298
• InChiKey: WAFVPADYWHYDJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  66
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.32
• 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：

  溴苯 、 Ethyl 2-[3,5-bis[5-(4-tert-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]phenyl]-5-(4-tert-butylphenyl)thiophene-3-carboxylate 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 13.0h， 生成
  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) 、 四(三苯基膦)钯 、 三叔丁基膦 、 sodium carbonate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 74.0h， 生成 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

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.